Geometry & MOs

Info

ID:	214348
PubChem CID:	84975241
Reduced:	O2Cl3N3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	388.0522
ΔH_f, kcal/mol:	-78.26
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.815787
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-iodoanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)N

DOS

IR

Vibrations