Geometry & MOs

Info

ID:	355895
PubChem CID:	127290747
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	6.68
Dipole, Da:	4.66
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxynaphthalen-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

DOS

IR

Vibrations