Geometry & MOs

Info

ID:	66418
PubChem CID:	46504543
Reduced:	ClN4O4C34H39 (1)
Stoich.:	AB4C4D34E39 (1)
Weight, g/mol:	574.242749
ΔH_f, kcal/mol:	-100.11
Dipole, Da:	9.96
IP(EA), eV:	-8.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-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)N5CCN(CC5)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations