Geometry & MOs

Info

ID:	222272
PubChem CID:	85295938
Reduced:	ClN4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	294.110338
ΔH_f, kcal/mol:	110.48
Dipole, Da:	3.28
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-hydroxy-3,9-dimethyl-12-methylidene-5,8,10-trioxatetracyclo[9.3.1.01,9.02,7]pentadecane-6,13-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2=NC3=C(C(=N2)Cl)NC=N3

DOS

IR

Vibrations