Geometry & MOs

Info

ID:	343392
PubChem CID:	127266565
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	4.62
IP(EA), eV:	-8.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3,4-diethoxyphenyl)methylamino]-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCNC(=O)COC1=CC=C(C=C1)NC(=O)NC2(CCC2)C3CCC3

DOS

IR

Vibrations