Geometry & MOs

Info

ID:	365069
PubChem CID:	127316783
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	7.53
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-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)CC3=CSC(=N3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations