Geometry & MOs

Info

ID:	391941
PubChem CID:	135011172
Reduced:	NiON4C28H28 (1)
Stoich.:	ABC4D28E28 (1)
Weight, g/mol:	206.203451
ΔH_f, kcal/mol:	389.12
Dipole, Da:	3.3
IP(EA), eV:	-7.66(-3.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C)C)C)C(C3=O)(C)C)C.[Ni+2]

DOS

IR

Vibrations