Geometry & MOs

Info

ID:	346835
PubChem CID:	127271339
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	3.72
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations