Geometry & MOs

Info

ID:	62101
PubChem CID:	26717586
Reduced:	NCl2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	409.084764
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	3.94
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations