Geometry & MOs

Info

ID:	53291
PubChem CID:	14710131
Reduced:	N6H16C17 (1)
Stoich.:	A6B16C17 (1)
Weight, g/mol:	324.089022
ΔH_f, kcal/mol:	174.2
Dipole, Da:	7.12
IP(EA), eV:	-9.33(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-chlorophenyl)-6-phenyl-7,8-dihydro-3H-tetrazolo[1,5-b][1,2,4]triazepine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=NC(C2)C4=CC=CC=C4)N=NN3

DOS

IR

Vibrations