Geometry & MOs

Info

ID:	61228
PubChem CID:	26707229
Reduced:	FCl2N2O2H17C18 (1)
Stoich.:	AB2C2D2E17F18 (1)
Weight, g/mol:	416.150285
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	2.91
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(3,5-dimethoxyphenyl)-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations