Geometry & MOs

Info

ID:	210319
PubChem CID:	80788257
Reduced:	O3N6C11H18 (1)
Stoich.:	A3B6C11D18 (1)
Weight, g/mol:	282.180424
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	5.89
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NCCNC(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations