Geometry & MOs

Info

ID:	259512
PubChem CID:	103167214
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	4.29
IP(EA), eV:	-8.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(3-bromophenyl)-1-cyclobutylbutan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(CN)C(CC2CCC2)O

DOS

IR

Vibrations