Geometry & MOs

Info

ID:	288187
PubChem CID:	104313255
Reduced:	BrClSN2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	39.74
Dipole, Da:	4.01
IP(EA), eV:	-8.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(CC1=CC=C(S1)Cl)C2=NC=C(C=C2)Br

DOS

IR

Vibrations