Geometry & MOs

Info

ID:	305687
PubChem CID:	124965595
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	4.39
IP(EA), eV:	-9.16(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN[C@H]1CCOC2(C1)CCN(CC2)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations