Geometry & MOs

Info

ID:	259479
PubChem CID:	103166422
Reduced:	NC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	73.45
Dipole, Da:	6.13
IP(EA), eV:	-9.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-(2-nitrophenyl)propan-2-ol

Drug info:

PubChemData

Smile

C1CC(C1)CC2=NN=C3N2CCNC3C4=CC=CC=C4

DOS

IR

Vibrations