Geometry & MOs

Info

ID:	334250
PubChem CID:	127252802
Reduced:	N3O7H21C23 (1)
Stoich.:	A3B7C21D23 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-177.19
Dipole, Da:	6.38
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxy-N-methyl-2-[2-(3-oxo-1H-isoindol-2-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-]

DOS

IR

Vibrations