Geometry & MOs

Info

ID:	27365
PubChem CID:	820931
Reduced:	N2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	12.22
Dipole, Da:	7.42
IP(EA), eV:	-9.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(furan-2-yl)-3-(2-phenylethylamino)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations