Geometry & MOs

Info

ID:	407121
PubChem CID:	135079359
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	19.61
Dipole, Da:	5.84
IP(EA), eV:	-10.13(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,7R)-8-azabicyclo[5.1.0]octan-8-yl]-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

C1C=CC[C@H]2[C@@H]1N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations