Geometry & MOs

Info

ID:	272218
PubChem CID:	103736006
Reduced:	ClION2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	380.96287
ΔH_f, kcal/mol:	3.8
Dipole, Da:	2.69
IP(EA), eV:	-9.8(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-chloro-4-iodobenzoyl)-methylamino]acetate

Drug info:

PubChemData

Smile

CC(C)CN(CCC#N)C(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations