Geometry & MOs

Info

ID:	287762
PubChem CID:	104294009
Reduced:	N2O3C13H24 (1)
Stoich.:	A2B3C13D24 (1)
Weight, g/mol:	296.09277
ΔH_f, kcal/mol:	-157.87
Dipole, Da:	1.4
IP(EA), eV:	-9.37(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(chloromethyl)piperidin-1-yl]-(3-methyl-5-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1CC(CC(C1)N)C(=O)N2CCOC(C2)CO

DOS

IR

Vibrations