Geometry & MOs

Info

ID:	127912
PubChem CID:	51022790
Reduced:	NSiO3C25H35 (1)
Stoich.:	ABC3D25E35 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-149.32
Dipole, Da:	3.76
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,4S)-2-nitro-2-bicyclo[2.2.2]oct-5-enyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H]1C=C2O[Si](C)(C)C(C)(C)C)C(=O)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations