Geometry & MOs

Info

ID:	246543
PubChem CID:	103061187
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	1.95
IP(EA), eV:	-8.51(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

C1COCC(C1O)CN2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations