Geometry & MOs

Info

ID:	332490
PubChem CID:	127250776
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	449.20386
ΔH_f, kcal/mol:	-4.77
Dipole, Da:	4.24
IP(EA), eV:	-8.58(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations