Geometry & MOs

Info

ID:	213971
PubChem CID:	81065606
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	316.00587
ΔH_f, kcal/mol:	-173.53
Dipole, Da:	4.37
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2-nitroanilino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=CC=CC=C1COC

DOS

IR

Vibrations