Geometry & MOs

Info

ID:	66455
PubChem CID:	46504602
Reduced:	O3N5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-14.98
Dipole, Da:	5.59
IP(EA), eV:	-8.98(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[[4-(diethylamino)benzoyl]amino]-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations