Geometry & MOs

Info

ID:	125751
PubChem CID:	50936901
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	364.211055
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	3.39
IP(EA), eV:	-9.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)acetate

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=CC=C(C1)C(=O)OC)O

DOS

IR

Vibrations