Geometry & MOs

Info

ID:	123631
PubChem CID:	50857132
Reduced:	N2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	69.92
Dipole, Da:	4.58
IP(EA), eV:	-8.37(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(3-ethoxyphenyl)-3-(5-methyl-1-propan-2-ylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C(C)C)C=NC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations