Geometry & MOs

Info

ID:	234325
PubChem CID:	92298184
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	6.15
Dipole, Da:	6.44
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C[C@@H]2C(=O)N=C(S2)N/N=C/C3=CC=CC=C3OCC=C

DOS

IR

Vibrations