Geometry & MOs

Info

ID:	365063
PubChem CID:	127316777
Reduced:	OF4N5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-157.09
Dipole, Da:	3.56
IP(EA), eV:	-8.82(-1.32)
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)-(4-methyl-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations