Geometry & MOs

Info

ID:	136253
PubChem CID:	52008455
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	70.34
Dipole, Da:	7.75
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-hydroxy-2-phenylethyl]-3-(1-methyltetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)C2=CC(=CC=C2)C(=O)N[C@@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations