Geometry & MOs

Info

ID:	426250
PubChem CID:	135142935
Reduced:	N6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	376.201159
ΔH_f, kcal/mol:	116.25
Dipole, Da:	5.4
IP(EA), eV:	-7.44(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1-acetylazetidin-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

C/C/1=C/2\C(=C/NCN/C=C1)\NC(=N2)CC3=CNN=C3

DOS

IR

Vibrations