Geometry & MOs

Info

ID:	391245
PubChem CID:	135003852
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-51.55
Dipole, Da:	2.25
IP(EA), eV:	-8.88(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-N-cyclohexyl-6,7-dimethoxy-4-methyl-1H-isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations