Geometry & MOs

Info

ID:	169474
PubChem CID:	75108424
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	288.133474
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	7.31
IP(EA), eV:	-9.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-amino-3-(3-methoxyphenyl)pyrazol-1-yl]-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

CC#CCC(C=CC=CC#CC(CCCC(=O)O)O)O

DOS

IR

Vibrations