Geometry & MOs

Info

ID:	236219
PubChem CID:	92711944
Reduced:	BrFON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	2.56
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(4-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=C(C=C(C=C3)Br)F

DOS

IR

Vibrations