Geometry & MOs

Info

ID:	210741
PubChem CID:	80850664
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	269.185175
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	4.47
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCC1C(=O)NC(=O)CN1C2=NC(=NC=C2)NCC

DOS

IR

Vibrations