Geometry & MOs

Info

ID:	131904
PubChem CID:	51276857
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	317.081871
ΔH_f, kcal/mol:	-144.13
Dipole, Da:	1.64
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations