Geometry & MOs

Info

ID:	38369
PubChem CID:	8033324
Reduced:	N2O5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	207.031173
ΔH_f, kcal/mol:	-161.04
Dipole, Da:	8.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020398
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1,5-dihydrotetrazolo[1,5-a]quinazoline

Drug info:

PubChemData

Smile

COC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

DOS

IR

Vibrations