Geometry & MOs

Info

ID:

311181

PubChem CID:

126589780

Reduced:

N6O10C61H72 (1)

Stoich.:

A6B10C61D72 (1)

Weight, g/mol:

511.319878

ΔHf, kcal/mol:

-287.96

Dipole, Da:

3.04

IP(EA), eV:

 -8.18(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C1CCCC1)NC(=O)CCCN(CCOCCOCCOC)C2=CC(=CC(=C2)COC3=C(C=C4C(=C3)N=C[C@@H]5CC6=CC=CC=C6N5C4=O)OC)COC7=C(C=C8C(=C7)NC[C@@H]9CC1=CC=CC=C1N9C8=O)OC

DOS

IR

Vibrations