Geometry & MOs

Info

ID:	31556
PubChem CID:	855866
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	313.073038
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	2.89
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-(5-phenyltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=CC(=N2)C)C

DOS

IR

Vibrations