Geometry & MOs

Info

ID:	196688
PubChem CID:	78865053
Reduced:	NF2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	378.09914
ΔH_f, kcal/mol:	-176.45
Dipole, Da:	5.03
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)CCCOC2=CC=C(C=C2)F)F

DOS

IR

Vibrations