Geometry & MOs

Info

ID:	355910
PubChem CID:	127290762
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	17.07
Dipole, Da:	2.39
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

DOS

IR

Vibrations