Geometry & MOs

Info

ID:	365120
PubChem CID:	127316874
Reduced:	OF4N5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-154.55
Dipole, Da:	3.84
IP(EA), eV:	-8.76(-1.22)
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)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C(N(N=N3)C4=CC=CC=C4F)C(F)(F)F

DOS

IR

Vibrations