Geometry & MOs

Info

ID:	288228
PubChem CID:	104313813
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	312.00737
ΔH_f, kcal/mol:	16.21
Dipole, Da:	3.63
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-1-(3,5-difluorophenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CC(C2=C(C=CC=N2)Br)NC

DOS

IR

Vibrations