Geometry & MOs

Info

ID:	323046
PubChem CID:	126671895
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	7.54
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1-(4-butylphenyl)-2-nitrobenzene

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC(=C(N=C4)N)C(=O)N

DOS

IR

Vibrations