Geometry & MOs

Info

ID:	148925
PubChem CID:	53788595
Reduced:	SN5O6C16H19 (1)
Stoich.:	AB5C6D16E19 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-196.64
Dipole, Da:	7.06
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(4-piperidin-4-ylpiperidin-1-yl)pyridine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@H](C(C2=O)NC3=NC=C(N3)CCC(=O)N)SC1)C(=O)O

DOS

IR

Vibrations