Geometry & MOs

Info

ID:	27996
PubChem CID:	824696
Reduced:	ClO2N4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	342.173213
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	4.86
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NC2=C(NC(=O)NC2=O)N)Cl

DOS

IR

Vibrations