Geometry & MOs

Info

ID:	234719
PubChem CID:	92303373
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	315.174691
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	0.42
IP(EA), eV:	-8.78(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)N1CCN2C=CC=C2[C@@H]1C3=CC(=CC=C3)OC

DOS

IR

Vibrations