Geometry & MOs

Info

ID:	142943
PubChem CID:	53120629
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	460.199822
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	0.85
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations