Geometry & MOs

Info

ID:	365045
PubChem CID:	127316724
Reduced:	OF2N2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-112.8
Dipole, Da:	4.83
IP(EA), eV:	-8.9(-0.7)
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)-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations