Geometry & MOs

Info

ID:	142942
PubChem CID:	53120628
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-96.35
Dipole, Da:	3.01
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations