Geometry & MOs

Info

ID:	263216
PubChem CID:	103346606
Reduced:	S2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	311.14899
ΔH_f, kcal/mol:	-4.38
Dipole, Da:	3.41
IP(EA), eV:	-8.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-1,4-dithian-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC2=C1CCCC2)C3CSC(C(S3)C)C

DOS

IR

Vibrations