Geometry & MOs

Info

ID:	287805
PubChem CID:	104294895
Reduced:	NF3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	418.95188
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	2.39
IP(EA), eV:	-9.33(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dibromo-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(C2=C(C=C(C(=C2)C)F)F)N

DOS

IR

Vibrations