Geometry & MOs

Info

ID:	123391
PubChem CID:	50845521
Reduced:	O2F3N4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	484.208611
ΔH_f, kcal/mol:	-174.67
Dipole, Da:	3.56
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC2=NC=NC(=C2)N3CCC(CC3)C(=O)NCC4=CC=CC=C4C(F)(F)F)C

DOS

IR

Vibrations