Geometry & MOs

Info

ID:	355559
PubChem CID:	127289317
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	6.89
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-chromen-4-yl-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations