Geometry & MOs

Info

ID:	319424
PubChem CID:	126655969
Reduced:	ON5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	136.088815
ΔH_f, kcal/mol:	60.05
Dipole, Da:	3.27
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-methylidenebicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CCCOCN1C=CC2=C(N=CN=C21)C3=CC(=CC=C3)C4(CC5=C(C4)N=CC=C5)CN

DOS

IR

Vibrations