Geometry & MOs

Info

ID:	142797
PubChem CID:	53092763
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	405.076786
ΔH_f, kcal/mol:	-113.56
Dipole, Da:	1.6
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl) 2-(3-chlorophenyl)-1-oxoisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)OC

DOS

IR

Vibrations