Geometry & MOs

Info

ID:	331134
PubChem CID:	127248541
Reduced:	O2F3N3C21H26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	409.197712
ΔH_f, kcal/mol:	-164.15
Dipole, Da:	4.51
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3CC3)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations