Geometry & MOs

Info

ID:	43016
PubChem CID:	10317779
Reduced:	SO3C22H38 (1)
Stoich.:	AB3C22D38 (1)
Weight, g/mol:	382.04292
ΔH_f, kcal/mol:	-179.64
Dipole, Da:	5.46
IP(EA), eV:	-10.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromophenyl)-7-(pyridin-3-ylmethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H](C)CCC[C@H](C)CCCC(C)C

DOS

IR

Vibrations