Geometry & MOs

Info

ID:	27128
PubChem CID:	814754
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	323.97596
ΔH_f, kcal/mol:	14.07
Dipole, Da:	5.94
IP(EA), eV:	-8.22(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-pyridin-4-ylbenzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)N3CCCC3)C4=CC=CS4

DOS

IR

Vibrations