Geometry & MOs

Info

ID:	449855
PubChem CID:	135302136
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	181.146664
ΔH_f, kcal/mol:	8.15
Dipole, Da:	2.15
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,6S)-2-azabicyclo[4.1.0]heptan-2-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)COC2=NC=C(N=C2)C(C)(C)C

DOS

IR

Vibrations