Geometry & MOs

Info

ID:	306390
PubChem CID:	125011544
Reduced:	FO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-99.1
Dipole, Da:	3.81
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)[C@H]3CCN(C3)C(=O)C(C)C)CCC4=CC=CC=C4F

DOS

IR

Vibrations