Geometry & MOs

Info

ID:	182392
PubChem CID:	76884239
Reduced:	FO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	369.185255
ΔH_f, kcal/mol:	-19.24
Dipole, Da:	4.01
IP(EA), eV:	-8.5(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C=CC2=NC3=CC=CC=C3N=C2)F

DOS

IR

Vibrations