Geometry & MOs

Info

ID:	276371
PubChem CID:	103822760
Reduced:	O2N4C7H10 (1)
Stoich.:	A2B4C7D10 (1)
Weight, g/mol:	361.00803
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	1.8
IP(EA), eV:	-9.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3-chloroanilino)-2,2-diethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]1O)C(=O)C2=NC=NN2

DOS

IR

Vibrations