Geometry & MOs

Info

ID:	259091
PubChem CID:	103158189
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	358.05282
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	2.11
IP(EA), eV:	-9.22(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-2,6-dimethylphenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCC1=C(N=CC=C1)CNCC(CC2CCCC2)O

DOS

IR

Vibrations