Geometry & MOs

Info

ID:	393849
PubChem CID:	135021824
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	3.27
IP(EA), eV:	-9.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-2-(prop-2-enoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)C(C)(C)C=C

DOS

IR

Vibrations