Geometry & MOs

Info

ID:	194534
PubChem CID:	78550374
Reduced:	ClO2F3N3H9C14 (1)
Stoich.:	AB2C3D3E9F14 (1)
Weight, g/mol:	400.159849
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	5.59
IP(EA), eV:	-9.46(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations