Geometry & MOs

Info

ID:	210396
PubChem CID:	80798769
Reduced:	ClO2N5C10H16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	280.054945
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	5.14
IP(EA), eV:	-9.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)Cl)NCCC(=O)OC

DOS

IR

Vibrations