Geometry & MOs

Info

ID:	289012
PubChem CID:	104331099
Reduced:	BrON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-5.91
Dipole, Da:	8.2
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=CC(=C(C=C1)C(=O)NC2=NC=C(C(=C2)C)Br)C

DOS

IR

Vibrations