Geometry & MOs

Info

ID:	269430
PubChem CID:	103617471
Reduced:	ClIN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	402.99484
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	3.95
IP(EA), eV:	-9.55(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC(=O)C1=C(C=CC(=C1)Cl)I

DOS

IR

Vibrations