Geometry & MOs

Info

ID:	375015
PubChem CID:	131465188
Reduced:	SN2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	44.26
Dipole, Da:	4.26
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxypiperidin-1-yl)-3-methylimidazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1CSCC1C2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations