Geometry & MOs

Info

ID:	422594
PubChem CID:	135118104
Reduced:	FON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	5.1
IP(EA), eV:	-8.68(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C3=C(C=NC=C3)F

DOS

IR

Vibrations