Geometry & MOs

Info

ID:	263837
PubChem CID:	103401161
Reduced:	BrNO3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	364.94522
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	3.42
IP(EA), eV:	-9.25(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,5-difluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C(C1=CC(=CC=C1)Br)OCCCOCCOC)N

DOS

IR

Vibrations