Geometry & MOs

Info

ID:	236211
PubChem CID:	92711920
Reduced:	FSN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	3.9
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(3,4-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N[C@@H](NS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations