Geometry & MOs

Info

ID:

299020

PubChem CID:

117667719

Reduced:

N3O4C20H23 (1)

Stoich.:

A3B4C20D23 (1)

Weight, g/mol:

702.150223

ΔHf, kcal/mol:

-129.97

Dipole, Da:

4.13

IP(EA), eV:

 -8.98(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-2-[(2R,3R)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC2=C1N=CC(=C2)C3=C(C=CN=C3)C(=O)OC

DOS

IR

Vibrations