Geometry & MOs

Info

ID:	79875
PubChem CID:	49830994
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	30.99
Dipole, Da:	4.8
IP(EA), eV:	-8.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC2=C(C=C1)N=C3C(=N2)C4=CC=CC=C4N3

DOS

IR

Vibrations