Geometry & MOs

Info

ID:	154549
PubChem CID:	56314011
Reduced:	ClFO2N4H20C23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	397.14134
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=CC=N2)Cl)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations