Geometry & MOs

Info

ID:	276116
PubChem CID:	103820706
Reduced:	ClN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	7.07
IP(EA), eV:	-9.93(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(hydroxymethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations