Geometry & MOs

Info

ID:	336856
PubChem CID:	127255863
Reduced:	N2O8C19H28 (1)
Stoich.:	A2B8C19D28 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-376.47
Dipole, Da:	5.03
IP(EA), eV:	-10.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;(3S)-3-(4-hydroxyphenyl)hex-4-ynoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C(C)(C)C)O

DOS

IR

Vibrations