Geometry & MOs

Info

ID:	167500
PubChem CID:	74836872
Reduced:	FO3N4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	460.26857
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	1.55
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-1,2,4-triazinan-6-yl]propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)CCC2C(=O)NC(NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4F

DOS

IR

Vibrations