Geometry & MOs

Info

ID:	291660
PubChem CID:	113456229
Reduced:	OSBr2N2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	282.032668
ΔH_f, kcal/mol:	0.74
Dipole, Da:	0.87
IP(EA), eV:	-8.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)NC(=O)C2=C(C=CS2)Br)Br

DOS

IR

Vibrations