Geometry & MOs

Info

ID:	264228
PubChem CID:	103444033
Reduced:	ClON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	354.01345
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	1.43
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-1-(3-chloropyridin-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)(CCC(C1=C(C=CC=N1)Cl)NC)OC

DOS

IR

Vibrations