Geometry & MOs

Info

ID:	296175
PubChem CID:	117559089
Reduced:	NO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-126.56
Dipole, Da:	2.24
IP(EA), eV:	-9.27(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-4-(4-methylanilino)butanoate

Drug info:

PubChemData

Smile

COC(=O)CC(CNCC=C)O

DOS

IR

Vibrations