Geometry & MOs

Info

ID:	364822
PubChem CID:	127316230
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	8.07
Dipole, Da:	4.18
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

DOS

IR

Vibrations