Geometry & MOs

Info

ID:	393925
PubChem CID:	135021965
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	10.51
Dipole, Da:	1.85
IP(EA), eV:	-8.63(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(1-ethynylcyclopentyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=NC3=C(O2)C=CC(=C3)C(C)(C)C

DOS

IR

Vibrations