Geometry & MOs

Info

ID:	442333
PubChem CID:	135251384
Reduced:	FO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	203.135097
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	4.91
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)(413C)butanoylamino]propanoic acid

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)[C@@H]1CN=C([C@H]1NC(=O)NC2=CC=C(C=C2)F)NO)/OC

DOS

IR

Vibrations