Geometry & MOs

Info

ID:	306259
PubChem CID:	125003365
Reduced:	ON2F4H22C25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	335.210996
ΔH_f, kcal/mol:	-186.59
Dipole, Da:	4.8
IP(EA), eV:	-9.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(4S)-1-[(5-methylpyrazin-2-yl)methyl]azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CC2=CC=C(C=C2)F)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations