Geometry & MOs

Info

ID:	332428
PubChem CID:	127250714
Reduced:	O2F3N3C20H26 (1)
Stoich.:	A2B3C3D20E26 (1)
Weight, g/mol:	397.197712
ΔH_f, kcal/mol:	-198.11
Dipole, Da:	3.81
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations