Geometry & MOs

Info

ID:	258882
PubChem CID:	103157329
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-167.31
Dipole, Da:	2.64
IP(EA), eV:	-9.55(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CNCC(CC1CCCC1)O

DOS

IR

Vibrations