Geometry & MOs

Info

ID:	291575
PubChem CID:	113445302
Reduced:	BrClON2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	343.94827
ΔH_f, kcal/mol:	4.19
Dipole, Da:	3.43
IP(EA), eV:	-8.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-[(3-chloropyridin-4-yl)methyl]-4-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(CN)C2=CC=C(O2)Br)Cl

DOS

IR

Vibrations