Geometry & MOs

Info

ID:	284776
PubChem CID:	104070280
Reduced:	ClINO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	4.12
IP(EA), eV:	-9.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C)(CO)NC(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations