Geometry & MOs

Info

ID:	147961
PubChem CID:	53787622
Reduced:	BrN4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	330.16198
ΔH_f, kcal/mol:	97.89
Dipole, Da:	3.91
IP(EA), eV:	-8.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[4-(2-methylpropyl)phenyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(C=C2)N)CCC(C#N)Br

DOS

IR

Vibrations