Geometry & MOs

Info

ID:	66456
PubChem CID:	46504607
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	486.206719
ΔH_f, kcal/mol:	-78.5
Dipole, Da:	8.83
IP(EA), eV:	-8.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(diethylamino)benzoyl]amino]-N-(3-fluoro-4-methylphenyl)-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)NC4CCCCC4

DOS

IR

Vibrations