Geometry & MOs

Info

ID:	210489
PubChem CID:	80814140
Reduced:	SO3N5C10H17 (1)
Stoich.:	AB3C5D10E17 (1)
Weight, g/mol:	254.153147
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	5.29
IP(EA), eV:	-9.87(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NC2(CCS(=O)(=O)C2)C)N

DOS

IR

Vibrations