Geometry & MOs

Info

ID:	160565
PubChem CID:	57389059
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	299.08254
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	2.7
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)spiro[6,8-dihydroquinazoline-7,1'-cyclopropane]-5-one

Drug info:

PubChemData

Smile

CC1(CC2=NC(=NC=C2C(=O)C1)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations