Geometry & MOs

Info

ID:	178639
PubChem CID:	76360790
Reduced:	NO2F4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	441.130026
ΔH_f, kcal/mol:	-227.28
Dipole, Da:	1.9
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-4-[(4,4,4-trifluoro-3-phenylbut-2-enoyl)amino]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CC(=O)NCCOC2=CC=C(C=C2)F)C(F)(F)F

DOS

IR

Vibrations