Geometry & MOs

Info

ID:	259145
PubChem CID:	103158355
Reduced:	NOSC13H27 (1)
Stoich.:	ABCD13E27 (1)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-86.5
Dipole, Da:	2.38
IP(EA), eV:	-8.27(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(3-methylbutylcarbamoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC(CSC)NCC(CC1CCCC1)O

DOS

IR

Vibrations