Geometry & MOs

Info

ID:	140804
PubChem CID:	52764178
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	7.64
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)CC(C)C)C

DOS

IR

Vibrations