Geometry & MOs

Info

ID:	367707
PubChem CID:	127325485
Reduced:	OSN7C17H21 (1)
Stoich.:	ABC7D17E21 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	59.52
Dipole, Da:	5.43
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations