Geometry & MOs

Info

ID:	371765
PubChem CID:	131271582
Reduced:	ClNF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-159.99
Dipole, Da:	2.34
IP(EA), eV:	-9.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-cyanopiperidin-4-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=C(C=CC(=C1F)Cl)F)N

DOS

IR

Vibrations