Geometry & MOs

Info

ID:	365083
PubChem CID:	127316825
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	4.5
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

DOS

IR

Vibrations