Geometry & MOs

Info

ID:	284775
PubChem CID:	104070043
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	366.9836
ΔH_f, kcal/mol:	-26.58
Dipole, Da:	1.67
IP(EA), eV:	-9.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-4-iodobenzamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNCC2=CC=C(N2)C(=O)OC

DOS

IR

Vibrations