Geometry & MOs

Info

ID:	210931
PubChem CID:	80872181
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	2.87
IP(EA), eV:	-8.96(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(4-nitrophenyl)sulfanyl-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OC2CCC2)N3CCCC3

DOS

IR

Vibrations