Geometry & MOs

Info

ID:	51040
PubChem CID:	12013657
Reduced:	ON2H22C25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	372.102941
ΔH_f, kcal/mol:	31.34
Dipole, Da:	7.74
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)methyl]-7,12-dihydroisoquinolino[2,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CC2C3=CC=CC=C3CN4C2=NC(=O)C5=CC=CC=C54)C

DOS

IR

Vibrations