Geometry & MOs

Info

ID:	126485
PubChem CID:	50966298
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-51.19
Dipole, Da:	4.62
IP(EA), eV:	-9.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-8-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)NC2=CC=C1)NC(=O)CCC3=C(N(N=C3C)C)C

DOS

IR

Vibrations