Geometry & MOs

Info

ID:	224569
PubChem CID:	85344949
Reduced:	N3O4H5C11 (1)
Stoich.:	A3B4C5D11 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	4.89
IP(EA), eV:	-9.75(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)C(=O)C3C(=N2)C(=O)N=NC3=O

DOS

IR

Vibrations