Geometry & MOs

Info

ID:	157745
PubChem CID:	56436903
Reduced:	ClO2F3N3C21H25 (1)
Stoich.:	AB2C3D3E21F25 (1)
Weight, g/mol:	403.237211
ΔH_f, kcal/mol:	-206.57
Dipole, Da:	5.03
IP(EA), eV:	-8.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)CNC2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)OC

DOS

IR

Vibrations