Geometry & MOs

Info

ID:	269429
PubChem CID:	103617466
Reduced:	ClION2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	393.9945
ΔH_f, kcal/mol:	49.55
Dipole, Da:	4.12
IP(EA), eV:	-9.6(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CN=CC=C2)C(=O)C3=C(C=CC(=C3)Cl)I

DOS

IR

Vibrations