Geometry & MOs

Info

ID:	207158
PubChem CID:	80354617
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	232.054945
ΔH_f, kcal/mol:	-31.87
Dipole, Da:	7.17
IP(EA), eV:	-9.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[2-(dimethylamino)ethylsulfanyl]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CN(C)CCSC1=CC(=NC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations