Geometry & MOs

Info

ID:	21309
PubChem CID:	587900
Reduced:	ClO2N4C9H15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	246.088353
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	7.63
IP(EA), eV:	-9.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-4-(dimethylamino)-6-ethoxy-1,3,5-triazin-2-one

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=O)N1CCCl)N(C)C

DOS

IR

Vibrations