Geometry & MOs

Info

ID:	174885
PubChem CID:	75826373
Reduced:	N2O3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	382.213067
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	4.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776948
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-[(7-methyl-3,4-dihydroisoquinolin-1-yl)methyl]-1-(prop-2-enylcarbamoyl)piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(C(C1)CC2=NCCC3=CC=CC=C32)CC(=O)[O-]

DOS

IR

Vibrations