Geometry & MOs

Info

ID:	430355
PubChem CID:	135170419
Reduced:	N2H78C81 (1)
Stoich.:	A2B78C81 (1)
Weight, g/mol:	278.22458
ΔH_f, kcal/mol:	229.81
Dipole, Da:	1.13
IP(EA), eV:	-7.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(butoxymethyl)-2,5-dimethylbenzene

Drug info:

Smile

CCCCCCC12CC3=C(C=CC(=C31)N(C4=CC5=C(C=C4)C6=C(C57C8=C(C=CC2=C8)C9=C7C=C(C=C9)C(C)(CC)CCCCCC)C=C(C=C6)N(C1=CC=C(C=C1)C)C1=CC=CC=C1C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations