Geometry & MOs

Info

ID:	237372
PubChem CID:	92718920
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-39.45
Dipole, Da:	7.56
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H]([C@@H]2CC3=CC=CC=C3O2)N

DOS

IR

Vibrations