Geometry & MOs

Info

ID:	237353
PubChem CID:	92718857
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-14.49
Dipole, Da:	7.43
IP(EA), eV:	-9.04(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-2,3-dihydro-1H-inden-5-yl-(2,3-dimethyl-5-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)[C@H]([C@H]2CC3=CC=CC=C3O2)N)[N+](=O)[O-]

DOS

IR

Vibrations