Geometry & MOs

Info

ID:	302743
PubChem CID:	124394180
Reduced:	ClNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	318.116841
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	3.12
IP(EA), eV:	-8.3(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(2-fluorophenyl)-3-[1-(4-methoxyphenyl)pyrrol-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N/C=C/2\CCCCCC2=O

DOS

IR

Vibrations