Geometry & MOs

Info

ID:	237352
PubChem CID:	92718853
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	12.03
Dipole, Da:	6.43
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)[C@H](C(C)(C)C2=CC=CC=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations