Geometry & MOs

Info

ID:	364820
PubChem CID:	127316228
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	4.15
IP(EA), eV:	-8.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC=C2CC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations