Geometry & MOs

Info

ID:	305703
PubChem CID:	124966143
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	3.61
IP(EA), eV:	-8.78(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@](CCN(C1)C(=O)CN2C(=O)C=CC(=O)N2)(CN3CCC4=CC=CC=C4C3)O

DOS

IR

Vibrations