Geometry & MOs

Info

ID:	85237
PubChem CID:	49872768
Reduced:	ClON4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	89.32
Dipole, Da:	4.4
IP(EA), eV:	-8.92(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N1C2=CC(=O)N(N=C2)C)C)C#CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations