Geometry & MOs

Info

ID:	288452
PubChem CID:	104316829
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	303.144613
ΔH_f, kcal/mol:	-123.05
Dipole, Da:	2.07
IP(EA), eV:	-8.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CCNC1COC2=C1C=CC(=C2)OCCC(C)O

DOS

IR

Vibrations