Geometry & MOs

Info

ID:	282435
PubChem CID:	103926819
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	5.28
IP(EA), eV:	-9.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)C1=C2C=CC=NC2=CC=C1

DOS

IR

Vibrations