Geometry & MOs

Info

ID:	159184
PubChem CID:	57264341
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-147.89
Dipole, Da:	5.58
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1H-imidazol-2-yl)ethoxy]-2,3-dihydro-1H-indene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)[C@H]([C@H](CO2)CC3=CC=CC=C3)O)C(=O)O

DOS

IR

Vibrations