Geometry & MOs

Info

ID:	123590
PubChem CID:	50854935
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	23.91
Dipole, Da:	7.17
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(3,5-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)/C(=C/C2=CN(C=C2)C3CCCCC3)/C#N

DOS

IR

Vibrations