Geometry & MOs

Info

ID:	185357
PubChem CID:	77289048
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	4.99
Dipole, Da:	6.0
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dihydroxy-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecan-8-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C2CCCC(N2CC3=C(N=CC=C3)C(=O)OC)C4=C(C=CC=N4)C

DOS

IR

Vibrations