Geometry & MOs

Info

ID:	394502
PubChem CID:	135023117
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	328.237545
ΔH_f, kcal/mol:	29.54
Dipole, Da:	3.7
IP(EA), eV:	-8.87(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,17,17-tetramethyl-3,6,9,12,15,18-hexazapentacyclo[10.7.1.02,6.09,20.015,19]icosa-1(20),2,18-triene

Drug info:

PubChemData

Smile

CC=CC1CC2(C=C(C1(C(=O)C23CO3)CC=C)C)C

DOS

IR

Vibrations