Geometry & MOs

Info

ID:	154556
PubChem CID:	56314018
Reduced:	F3N4O4C21H23 (1)
Stoich.:	A3B4C4D21E23 (1)
Weight, g/mol:	488.183539
ΔH_f, kcal/mol:	-207.93
Dipole, Da:	6.08
IP(EA), eV:	-9.1(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoroanilino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)CNC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations