Geometry & MOs

Info

ID:	85274
PubChem CID:	49873365
Reduced:	ON6H18C20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	103.7
Dipole, Da:	4.46
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC2=C(C=C1)N=CC=C2)C3=CC=CC(=C3)C4=NNN=N4

DOS

IR

Vibrations