Geometry & MOs

Info

ID:	203171
PubChem CID:	79789832
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	330.02152
ΔH_f, kcal/mol:	-165.58
Dipole, Da:	7.75
IP(EA), eV:	-9.12(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-nitrophenyl)methylamino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)C1=C(C(=C(C(=C1C)C)C)C)C

DOS

IR

Vibrations