Geometry & MOs

Info

ID:	317226
PubChem CID:	126634486
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	271.153206
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	4.89
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-hydroxybutanediamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC2=C1C(=CN2)C3=CC=CC=C3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations