Geometry & MOs

Info

ID:	441810
PubChem CID:	135245090
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	368.219889
ΔH_f, kcal/mol:	38.37
Dipole, Da:	2.82
IP(EA), eV:	-8.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(acetyloxymethyl)cyclohexyl]methyl 4-(acetyloxymethyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CC2=CCCC=C2N=C1)N

DOS

IR

Vibrations