Geometry & MOs

Info

ID:	210214
PubChem CID:	80774625
Reduced:	ON7C13H19 (1)
Stoich.:	AB7C13D19 (1)
Weight, g/mol:	295.200825
ΔH_f, kcal/mol:	33.27
Dipole, Da:	4.86
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C2=NC(=NC(=N2)N3C=CN=C3)NC)C

DOS

IR

Vibrations