Geometry & MOs

Info

ID:	210125
PubChem CID:	80766616
Reduced:	SN4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	8.07
Dipole, Da:	4.06
IP(EA), eV:	-8.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-phenyl-6-N-propylpyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)SC)N2CCCCC2C

DOS

IR

Vibrations