Geometry & MOs

Info

ID:	287763
PubChem CID:	104294060
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	310.10842
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	7.02
IP(EA), eV:	-9.76(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chloroethyl)piperidin-1-yl]-(3-methyl-5-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)CCl

DOS

IR

Vibrations