Geometry & MOs

Info

ID:	127786
PubChem CID:	51015029
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	290.153147
ΔH_f, kcal/mol:	61.61
Dipole, Da:	6.84
IP(EA), eV:	-9.69(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-2-methyl-5-[5-(2-phenylethynyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1C3C2C=C[C@H]3OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations