Geometry & MOs

Info

ID:	259511
PubChem CID:	103167211
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	1.98
IP(EA), eV:	-8.7(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-cyclobutyl-3-(4-ethoxyphenyl)butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(CN)C(CC2CCC2)O)OC

DOS

IR

Vibrations