Geometry & MOs

Info

ID:	332488
PubChem CID:	127250774
Reduced:	ClO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	417.197631
ΔH_f, kcal/mol:	5.33
Dipole, Da:	2.96
IP(EA), eV:	-8.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations