Geometry & MOs

Info

ID:	399606
PubChem CID:	135041237
Reduced:	SN3H7C12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	350.05315
ΔH_f, kcal/mol:	180.17
Dipole, Da:	2.14
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-iodo-2-methyl-4-phenylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC2=CC=CS2)N=[N+]=[N-]

DOS

IR

Vibrations