Geometry & MOs

Info

ID:	365094
PubChem CID:	127316836
Reduced:	OSF3N6C13H19 (1)
Stoich.:	ABC3D6E13F19 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-126.94
Dipole, Da:	7.03
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CSC3=NN=NN3CC(F)(F)F

DOS

IR

Vibrations