Geometry & MOs

Info

ID:	141160
PubChem CID:	52828715
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	319.084945
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	3.71
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-chloro-3-nitrophenyl)methyl-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)CN[C@H]2[C@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations