Geometry & MOs

Info

ID:	269453
PubChem CID:	103617535
Reduced:	FION2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	380.96287
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	4.65
IP(EA), eV:	-8.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-chloro-2-iodobenzoyl)-methylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)CN(CCN(C)C)C(=O)C1=C(C=C(C=C1)F)I

DOS

IR

Vibrations