Geometry & MOs

Info

ID:	135554
PubChem CID:	51891867
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	164.107539
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	0.76
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]azanium

Drug info:

PubChemData

Smile

CC[C@H](CO)NC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations