Geometry & MOs

Info

ID:	210849
PubChem CID:	80861900
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	219.11201
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	3.89
IP(EA), eV:	-9.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-prop-2-ynoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OCCCC(C)C)OC

DOS

IR

Vibrations