Geometry & MOs

Info

ID:	208534
PubChem CID:	80540837
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	5.42
IP(EA), eV:	-9.25(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCN(C1CCNCC1)C(=O)NCCC(C)C(=O)O

DOS

IR

Vibrations