Geometry & MOs

Info

ID:	231657
PubChem CID:	87574400
Reduced:	N2O2C5H15 (1)
Stoich.:	A2B2C5D15 (1)
Weight, g/mol:	241.040675
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	7.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754152
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloropyridin-2-yl)quinazoline

Drug info:

PubChemData

Smile

C[N+](C)(C)CCO.N=O

DOS

IR

Vibrations