Geometry & MOs

Info

ID:	289470
PubChem CID:	104356518
Reduced:	BrClNO3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	373.00803
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	7.08
IP(EA), eV:	-10.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-2-chlorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations