Geometry & MOs

Info

ID:	66415
PubChem CID:	46504537
Reduced:	ClN3O5C31H34 (1)
Stoich.:	AB3C5D31E34 (1)
Weight, g/mol:	559.268236
ΔH_f, kcal/mol:	-143.34
Dipole, Da:	1.18
IP(EA), eV:	-8.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCN4CCOCC4)C(=O)NC5=CC(=C(C=C5)OC)Cl

DOS

IR

Vibrations