Geometry & MOs

Info

ID:	237348
PubChem CID:	92718828
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-19.12
Dipole, Da:	5.62
IP(EA), eV:	-8.77(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H](C2=CC(=C(C=C2)C)OC)N

DOS

IR

Vibrations