Geometry & MOs

Info

ID:	162695
PubChem CID:	57551461
Reduced:	ClFON2C20H20 (1)
Stoich.:	ABCD2E20F20 (1)
Weight, g/mol:	454.166826
ΔH_f, kcal/mol:	-69.42
Dipole, Da:	3.1
IP(EA), eV:	-8.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations