Geometry & MOs

Info

ID:	365128
PubChem CID:	127316885
Reduced:	OSN5C15H25 (1)
Stoich.:	ABC5D15E25 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	2.43
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-4-yl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CSC3=NN=CN3C(C)C

DOS

IR

Vibrations