Geometry & MOs

Info

ID:	259125
PubChem CID:	103158275
Reduced:	N2O3C15H28 (1)
Stoich.:	A2B3C15D28 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	-159.69
Dipole, Da:	2.25
IP(EA), eV:	-9.31(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-4-methylphenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCCC(=O)N2CCOCC2)O

DOS

IR

Vibrations