Geometry & MOs

Info

ID:	79356
PubChem CID:	49748207
Reduced:	ClN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	360.133474
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	8.09
IP(EA), eV:	-8.16(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC(=C2)NC(=O)/C=C/C4=CC=CC=C4Cl)CC(=O)N3C1

DOS

IR

Vibrations