Geometry & MOs

Info

ID:	339754
PubChem CID:	127261756
Reduced:	O2S2N3H7C11 (1)
Stoich.:	A2B2C3D7E11 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	101.3
Dipole, Da:	3.53
IP(EA), eV:	-9.1(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dihydroimidazo[5,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C=C/C2=C(N3C=CSC3=N2)[N+](=O)[O-]

DOS

IR

Vibrations