Geometry & MOs

Info

ID:	397186
PubChem CID:	135029858
Reduced:	H20C21 (2)
Stoich.:	A20B21 (2)
Weight, g/mol:	326.203451
ΔH_f, kcal/mol:	203.13
Dipole, Da:	1.02
IP(EA), eV:	-7.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyltetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene

Drug info:

PubChemData

Smile

C1CC2=CC=C(CCC3=C(C=C(CCC4=CC=C1C=C4)C=C3)/C=C\C5=C6CCC7=CC=C(CCC(=C5)C=C6)C=C7)C=C2

DOS

IR

Vibrations