Geometry & MOs

Info

ID:	392765
PubChem CID:	135017895
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	195.079647
ΔH_f, kcal/mol:	-167.09
Dipole, Da:	2.58
IP(EA), eV:	-8.35(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(N-[(E)-2-cyanoethenyl]anilino)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1CC2C/C(=C\C=C\OC)/CC2(O1)C)/C

DOS

IR

Vibrations