Geometry & MOs

Info

ID:	204195
PubChem CID:	79929429
Reduced:	BrNC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	20.1
Dipole, Da:	3.37
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations