Geometry & MOs

Info

ID:	258382
PubChem CID:	103153366
Reduced:	BrN2O4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-167.6
Dipole, Da:	6.58
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=C1C(=O)NCC(CC(=O)O)OC)Br

DOS

IR

Vibrations