Geometry & MOs

Info

ID:	213749
PubChem CID:	81064867
Reduced:	NOSC14H29 (1)
Stoich.:	ABCD14E29 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	2.47
IP(EA), eV:	-8.7(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)CC1(CCCCCC1)CS

DOS

IR

Vibrations