Geometry & MOs

Info

ID:	393967
PubChem CID:	135022061
Reduced:	FC23H25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	3.53
IP(EA), eV:	-8.68(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-chloro-2-nitrophenyl)-3-pyrrolidin-1-ylpent-2-enenitrile

Drug info:

PubChemData

Smile

CCCCC1C(=C(C(=C1C)C2=CC=C(C=C2)F)C3=CC=CC=C3)C

DOS

IR

Vibrations