Geometry & MOs

Info

ID:	258020
PubChem CID:	103149994
Reduced:	OF2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	323.126376
ΔH_f, kcal/mol:	-139.58
Dipole, Da:	0.86
IP(EA), eV:	-8.96(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-fluorophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)F)CC1=CC(=NN1C)C

DOS

IR

Vibrations