Geometry & MOs

Info

ID:	160653
PubChem CID:	57389325
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-8.64
Dipole, Da:	5.98
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC2=NC(=NC=C2C1)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations