Geometry & MOs

Info

ID:	261681
PubChem CID:	103245073
Reduced:	NS2O4C12H17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	204.147393
ΔH_f, kcal/mol:	-162.63
Dipole, Da:	4.98
IP(EA), eV:	-9.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)propylamino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)CNC2(CCS(=O)(=O)C2)C

DOS

IR

Vibrations