Geometry & MOs

Info

ID:	169130
PubChem CID:	75067876
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	481.138004
ΔH_f, kcal/mol:	-8.18
Dipole, Da:	4.1
IP(EA), eV:	-8.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[6-[3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide;hydrochloride

Drug info:

PubChemData

Smile

CCCN1CC(OC2C1CC3=C(C2)C(=CC=C3)OC)CN4C=CC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations