Geometry & MOs

Info

ID:	313127
PubChem CID:	126612091
Reduced:	FBr2N2H17C26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	370.214409
ΔH_f, kcal/mol:	86.14
Dipole, Da:	3.59
IP(EA), eV:	-8.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)ethyl 4-butoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C5CF)Br)Br

DOS

IR

Vibrations