Geometry & MOs

Info

ID:	157674
PubChem CID:	56436406
Reduced:	N7C24H27 (1)
Stoich.:	A7B24C27 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	134.53
Dipole, Da:	3.41
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CCNCC3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5

DOS

IR

Vibrations