Geometry & MOs

Info

ID:	332497
PubChem CID:	127250783
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	2.21
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-[2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCCC2=CC(=NN2)C3CN(CCO3)CC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations