Geometry & MOs

Info

ID:	80672
PubChem CID:	49835837
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	276.112344
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	2.88
IP(EA), eV:	-8.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-(2H-tetrazol-5-ylmethyl)indazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(N=C2C3=CC=CC=C3)CC(=O)OC

DOS

IR

Vibrations