Geometry & MOs

Info

ID:	272219
PubChem CID:	103736007
Reduced:	ClINO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	407.0149
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	5.02
IP(EA), eV:	-9.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(3-propoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations