Geometry & MOs

Info

ID:	229354
PubChem CID:	87567465
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	312.027725
ΔH_f, kcal/mol:	-144.5
Dipole, Da:	7.62
IP(EA), eV:	-8.68(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(6-chloropyridin-2-yl)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC(=O)C=C1O)/NC(CCCCN)C(=O)O

DOS

IR

Vibrations