Geometry & MOs

Info

ID:	160593
PubChem CID:	57389154
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	3.97
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-oxospiro[6,8-dihydroquinazoline-7,1'-cyclopropane]-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CN1CCC(=O)C2=CN=C(N=C21)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations