Geometry & MOs

Info

ID:	396676
PubChem CID:	135029022
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	382.131742
ΔH_f, kcal/mol:	-141.17
Dipole, Da:	2.82
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-phenylethyl)-6aH-isoquinolino[2,3-a]quinazoline-5,7,12-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(C2=CC=CC=C2C(=O)O)C3=C(CC(CC3=O)(C)C)O

DOS

IR

Vibrations