Geometry & MOs

Info

ID:	295453
PubChem CID:	117529505
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	309.08406
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	3.6
IP(EA), eV:	-8.96(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-bromophenyl)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=O)N3CCNCC3CN2C

DOS

IR

Vibrations