Geometry & MOs

Info

ID:	246863
PubChem CID:	103065205
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	266.156518
ΔH_f, kcal/mol:	46.18
Dipole, Da:	4.16
IP(EA), eV:	-8.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,5-dimethyl-2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CN2C=CN=C2C(=N1)NC3CCSC3

DOS

IR

Vibrations