Geometry & MOs

Info

ID:	375007
PubChem CID:	131465140
Reduced:	ON2H10C11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	18.19
Dipole, Da:	5.83
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-1-piperidin-3-yl-3H-pyrrol-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CN2)C(C#N)O

DOS

IR

Vibrations