Geometry & MOs

Info

ID:	178504
PubChem CID:	76338692
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-0.38
Dipole, Da:	5.83
IP(EA), eV:	-8.69(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NC3=CC4=C(CNC4=O)C=C3)C

DOS

IR

Vibrations