Geometry & MOs

Info

ID:	391128
PubChem CID:	135002992
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	453.189986
ΔH_f, kcal/mol:	-84.71
Dipole, Da:	2.55
IP(EA), eV:	-9.48(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-6,7-dimethoxy-4-methyl-2-(4-nitrobenzoyl)-1H-isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C(=C)C1)CC2=CC=CC=C2

DOS

IR

Vibrations