Geometry & MOs

Info

ID:	69320
PubChem CID:	46530679
Reduced:	O3N4H20C24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	5.33
Dipole, Da:	6.73
IP(EA), eV:	-8.44(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

DOS

IR

Vibrations