Geometry & MOs

Info

ID:	123589
PubChem CID:	50854934
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	11.3
IP(EA), eV:	-9.13(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=C2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations