Geometry & MOs

Info

ID:	224617
PubChem CID:	85345353
Reduced:	ClNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	288.11503
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	2.27
IP(EA), eV:	-9.29(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[12.2.1.12,5.16,9.110,13.01,6.09,14]icosa-3,7,11,15-tetraene-17,19-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2)C=C3C(CCC3=O)Cl

DOS

IR

Vibrations