Geometry & MOs

Info

ID:	279569
PubChem CID:	103844360
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	7.31
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NN=C(C=C1)C(=O)OC)CO

DOS

IR

Vibrations