Geometry & MOs

Info

ID:	296174
PubChem CID:	117559047
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	173.105193
ΔH_f, kcal/mol:	-138.69
Dipole, Da:	3.61
IP(EA), eV:	-8.47(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-4-(prop-2-enylamino)butanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NCC(CCC(=O)O)O

DOS

IR

Vibrations