Geometry & MOs

Info

ID:	52110
PubChem CID:	12014895
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	256.100048
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	2.98
IP(EA), eV:	-9.2(0.06)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

6,15-diazoniapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene

Drug info:

PubChemData

Smile

CCC(=O)C(C)C(C)(C)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations