Geometry & MOs

Info

ID:	435451
PubChem CID:	135191495
Reduced:	ClIN4H6C7 (1)
Stoich.:	ABC4D6E7 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	68.23
Dipole, Da:	4.16
IP(EA), eV:	-8.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-6-[4-(methylaminosulfanylmethyl)phenoxy]pyrimidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C(=CN2)I)Cl

DOS

IR

Vibrations