Geometry & MOs

Info

ID:	81891
PubChem CID:	49855310
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	234.140851
ΔH_f, kcal/mol:	-120.02
Dipole, Da:	2.74
IP(EA), eV:	-8.2(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2,5-bis(3-methylbut-3-en-1-ynyl)benzene

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC(=C(C=C2[C@@H](O1)CCN3CCN(CC3)C4=CC=C(C=C4)OC)OC)OC

DOS

IR

Vibrations