Geometry & MOs

Info

ID:	256895
PubChem CID:	103142216
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	47.51
Dipole, Da:	9.46
IP(EA), eV:	-8.92(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1C2CN(CC2CN1)C3=C4C=NC=CC4=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations