Geometry & MOs

Info

ID:	333714
PubChem CID:	127252266
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	3.49
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C5=CC=NC=C5

DOS

IR

Vibrations