Geometry & MOs

Info

ID:	324294
PubChem CID:	126677353
Reduced:	OSN2C24H30 (1)
Stoich.:	ABC2D24E30 (1)
Weight, g/mol:	425.0367
ΔH_f, kcal/mol:	2.29
Dipole, Da:	0.99
IP(EA), eV:	-8.19(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(diethylamino)ethyl]-4-(iodoamino)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3CC)CCC

DOS

IR

Vibrations