Geometry & MOs

Info

ID:	123479
PubChem CID:	50849699
Reduced:	ClN2O4H7C11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	301.063634
ΔH_f, kcal/mol:	-35.47
Dipole, Da:	3.93
IP(EA), eV:	-9.83(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloro-2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C(=O)N)Cl

DOS

IR

Vibrations