Geometry & MOs

Info

ID:	371712
PubChem CID:	131270919
Reduced:	ClOSN3C8H12 (1)
Stoich.:	ABCD3E8F12 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	2.91
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=NSC(=N2)Cl)O

DOS

IR

Vibrations