Geometry & MOs

Info

ID:	225148
PubChem CID:	85742013
Reduced:	N3H21C28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	135.51
Dipole, Da:	2.11
IP(EA), eV:	-8.21(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7,12-dioxaspiro[5.6]dodecan-3-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

DOS

IR

Vibrations