Geometry & MOs

Info

ID:	306417
PubChem CID:	125011636
Reduced:	FSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	0.91
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-[(2R)-2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)[C@H]2CCCN(C2)C(=O)C3=C(C=CC(=C3)F)OC

DOS

IR

Vibrations