Geometry & MOs

Info

ID:	159257
PubChem CID:	57269345
Reduced:	PO4C7H13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-216.68
Dipole, Da:	2.88
IP(EA), eV:	-10.18(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1H-inden-5-ylamino)acetyl] (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

COP(=O)(CC(=O)CC=C)OC

DOS

IR

Vibrations