Geometry & MOs

Info

ID:	180959
PubChem CID:	76712438
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	164.156501
ΔH_f, kcal/mol:	31.09
Dipole, Da:	1.51
IP(EA), eV:	-7.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane

Drug info:

PubChemData

Smile

CCN=C1N(C(=O)C(=CC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC=C4)O1)CC

DOS

IR

Vibrations