Geometry & MOs

Info

ID:	287866
PubChem CID:	104296789
Reduced:	BrFNH15C18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	388.92715
ΔH_f, kcal/mol:	11.1
Dipole, Da:	2.16
IP(EA), eV:	-9.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC=C(C3=CC=CC=C32)F)N)Br

DOS

IR

Vibrations