Geometry & MOs

Info

ID:	210397
PubChem CID:	80799880
Reduced:	ClSN4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	85.76
Dipole, Da:	1.94
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1CC1N(CC2=CSC=C2)C3=NC(=NC=C3Cl)N

DOS

IR

Vibrations