Geometry & MOs

Info

ID:	269349
PubChem CID:	103617114
Reduced:	ISN2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	380.03856
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	5.59
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N,3-dimethyl-N-(2-pyridin-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C)I

DOS

IR

Vibrations