Geometry & MOs

Info

ID:	236252
PubChem CID:	92712074
Reduced:	OF3N3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-171.55
Dipole, Da:	3.98
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C2N1CCN([C@@H]2C(C)C)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations