Geometry & MOs

Info

ID:	205515
PubChem CID:	80114758
Reduced:	NSF2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	255.143471
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	1.88
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C2=CC=CS2)NC)F

DOS

IR

Vibrations