Geometry & MOs

Info

ID:	206113
PubChem CID:	80206170
Reduced:	FON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	271.174771
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	2.68
IP(EA), eV:	-9.26(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-3-[methyl(pentan-3-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NCC2=NOC(=C2)C)F

DOS

IR

Vibrations