Geometry & MOs

Info

ID:	165245
PubChem CID:	74521054
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	3.96
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C=CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations