Geometry & MOs

Info

ID:	197982
PubChem CID:	79025783
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	5.42
Dipole, Da:	1.41
IP(EA), eV:	-9.16(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)COC2=CC=CC(=C2)[C@@H](C)N

DOS

IR

Vibrations