Geometry & MOs

Info

ID:	332565
PubChem CID:	127250851
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	449.20386
ΔH_f, kcal/mol:	-2.97
Dipole, Da:	2.37
IP(EA), eV:	-8.64(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations