Geometry & MOs

Info

ID:	24616
PubChem CID:	611401
Reduced:	C4H5 (4)
Stoich.:	A4B5 (4)
Weight, g/mol:	212.156501
ΔH_f, kcal/mol:	98.71
Dipole, Da:	1.48
IP(EA), eV:	-8.69(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyltetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC12CC3CC(C1)C4=CC=CC=C4C(C3)C2

DOS

IR

Vibrations