Geometry & MOs

Info

ID:	269459
PubChem CID:	103617547
Reduced:	FINO2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	405.9945
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	4.89
IP(EA), eV:	-9.52(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CC1N(CC2CCOC2)C(=O)C3=C(C=C(C=C3)F)I

DOS

IR

Vibrations