Geometry & MOs

Info

ID:	343551
PubChem CID:	127266724
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-123.35
Dipole, Da:	1.56
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-nitropyridin-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NC2CCN(CC2)C3CCOCC3

DOS

IR

Vibrations