Geometry & MOs

Info

ID:	259510
PubChem CID:	103167196
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	2.86
IP(EA), eV:	-8.76(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-cyclobutyl-3-(3-methoxy-4-methylphenyl)butan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN)C(CC2CCC2)O

DOS

IR

Vibrations