Geometry & MOs

Info

ID:	281205
PubChem CID:	103911443
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	279.199843
ΔH_f, kcal/mol:	-60.31
Dipole, Da:	2.86
IP(EA), eV:	-9.02(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[cyclopropyl-(4-fluorophenyl)methyl]amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CC1CC(CCO1)NCCC2=CCCC2

DOS

IR

Vibrations