Geometry & MOs

Info

ID:	210257
PubChem CID:	80781852
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	276.140868
ΔH_f, kcal/mol:	29.97
Dipole, Da:	7.46
IP(EA), eV:	-8.55(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)[N+](=O)[O-])NC(C)C2=CC=CS2

DOS

IR

Vibrations