Geometry & MOs

Info

ID:	236215
PubChem CID:	92711937
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	4.09
Dipole, Da:	3.7
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C2=CC=CN2CCN1C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations