Geometry & MOs

Info

ID:	365232
PubChem CID:	127317080
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	42.73
Dipole, Da:	5.67
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations