Geometry & MOs

Info

ID:	54645
PubChem CID:	17389037
Reduced:	N3O4H17C22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	375.11384
ΔH_f, kcal/mol:	26.44
Dipole, Da:	6.4
IP(EA), eV:	-8.88(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C#N)C

DOS

IR

Vibrations