Geometry & MOs

Info

ID:	366637
PubChem CID:	127320166
Reduced:	SN6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	78.98
Dipole, Da:	4.78
IP(EA), eV:	-8.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

Drug info:

PubChemData

Smile

CN(CC1=CC=NN1)CC2=NC(=C3C4=C(CCCC4)SC3=N2)N

DOS

IR

Vibrations