Geometry & MOs

Info

ID:	365056
PubChem CID:	127316737
Reduced:	O2F3N4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-140.53
Dipole, Da:	4.62
IP(EA), eV:	-8.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations