Geometry & MOs

Info

ID:	237333
PubChem CID:	92718729
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	4.83
IP(EA), eV:	-8.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H](C2=CC(=C(C(=C2)C)C)[N+](=O)[O-])N

DOS

IR

Vibrations