Geometry & MOs

Info

ID:	365138
PubChem CID:	127316922
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-110.75
Dipole, Da:	6.56
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations