Geometry & MOs

Info

ID:	135736
PubChem CID:	51923640
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-164.26
Dipole, Da:	5.46
IP(EA), eV:	-8.92(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

DOS

IR

Vibrations