Geometry & MOs

Info

ID:	365050
PubChem CID:	127316729
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	388.08987
ΔH_f, kcal/mol:	-123.54
Dipole, Da:	7.68
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-phenyl-1H-pyrazol-5-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)CCNS(=O)(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations