Geometry & MOs

Info

ID:	53532
PubChem CID:	14716493
Reduced:	N4H33C34 (2)
Stoich.:	A4B33C34 (2)
Weight, g/mol:	346.240899
ΔH_f, kcal/mol:	269.18
Dipole, Da:	6.91
IP(EA), eV:	-7.54(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-3-octylnaphthalene-1,2-dicarbonitrile

Drug info:

Smile

CCCCCC1=CC2=C(C=C1)C3=C(C=C2)C4=NC5=C6C7=C(C=CC6=C(N5)N=C8C9=C(C=CC1=C9C=CC(=C1)CCCCC)C(=N8)N=C1C2=C(C=CC5=C2C=CC(=C5)CCCCC)C(=N1)N=C3N4)C=C(C=C7)CCCCC

DOS

IR

Vibrations