Geometry & MOs

Info

ID:	134076
PubChem CID:	51637293
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	330.209599
ΔH_f, kcal/mol:	-104.93
Dipole, Da:	3.05
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8aR)-2-(anthracen-9-ylmethyl)-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC3=CC=CC=C3Br

DOS

IR

Vibrations