Geometry & MOs

Info

ID:	237334
PubChem CID:	92718742
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	3.65
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(3,4-dimethyl-5-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations