Geometry & MOs

Info

ID:	261603
PubChem CID:	103241817
Reduced:	BrN2O3C11H21 (1)
Stoich.:	AB2C3D11E21 (1)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-162.55
Dipole, Da:	2.0
IP(EA), eV:	-8.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCNCC(C(=O)OC)Br

DOS

IR

Vibrations