Geometry & MOs

Info

ID:	54648
PubChem CID:	17389041
Reduced:	ON3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	21.4
Dipole, Da:	11.87
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-cyclohexyl-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC(=CC(=C3)C)C)C)/C#N)C

DOS

IR

Vibrations