Geometry & MOs

Info

ID:	205522
PubChem CID:	80115840
Reduced:	BrNF2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	269.195506
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	2.33
IP(EA), eV:	-9.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)-3,5,5-trimethylhexan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations