Geometry & MOs

Info

ID:	276115
PubChem CID:	103820664
Reduced:	ClINO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	299.067284
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	5.26
IP(EA), eV:	-9.67(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-nitropyridin-4-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)Cl)I)CO

DOS

IR

Vibrations