Geometry & MOs

Info

ID:	355896
PubChem CID:	127290748
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-11.13
Dipole, Da:	6.61
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations