Geometry & MOs

Info

ID:	355891
PubChem CID:	127290743
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	31.15
Dipole, Da:	6.44
IP(EA), eV:	-8.51(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations