Geometry & MOs

Info

ID:	391558
PubChem CID:	135006491
Reduced:	NF3H12C17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	515.195125
ΔH_f, kcal/mol:	-42.3
Dipole, Da:	4.81
IP(EA), eV:	-9.2(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl-(2,6-dimethylpyrimidin-4-yl)amino]-1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=C(C#CC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations