Geometry & MOs

Info

ID:	381141
PubChem CID:	134971792
Reduced:	C3H5 (4)
Stoich.:	A3B5 (4)
Weight, g/mol:	338.147786
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	0.61
IP(EA), eV:	-9.26(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-nitrophenyl)methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(=C=C)C[C@@H]1CCC[C@H]1C

DOS

IR

Vibrations