Geometry & MOs

Info

ID:	277140
PubChem CID:	103826954
Reduced:	BrClNOC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	356.0291
ΔH_f, kcal/mol:	-23.81
Dipole, Da:	3.76
IP(EA), eV:	-9.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CC=C1)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations