Geometry & MOs

Info

ID:	332492
PubChem CID:	127250778
Reduced:	FO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-31.36
Dipole, Da:	1.91
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)F)C

DOS

IR

Vibrations