Geometry & MOs

Info

ID:	129720
PubChem CID:	51073636
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-81.95
Dipole, Da:	8.99
IP(EA), eV:	-8.3(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations