Geometry & MOs

Info

ID:	372301
PubChem CID:	131295972
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	198.100442
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	4.21
IP(EA), eV:	-10.35(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[cyano(hydroxy)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)C1=C(C=C(C=C1)CO)C#N)Cl

DOS

IR

Vibrations