Geometry & MOs

Info

ID:	299345
PubChem CID:	117682707
Reduced:	N3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	83.91
Dipole, Da:	3.0
IP(EA), eV:	-9.05(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-6-tert-butyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCC2)C3=CN=C(N=C3)N

DOS

IR

Vibrations