Geometry & MOs

Info

ID:	274183
PubChem CID:	103807598
Reduced:	ClION2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	386.08551
ΔH_f, kcal/mol:	20.28
Dipole, Da:	3.89
IP(EA), eV:	-9.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethylaminomethyl)piperidin-1-yl]-(2-iodo-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(=O)NC2=NC=C(C=C2)I

DOS

IR

Vibrations