Geometry & MOs

Info

ID:	332427
PubChem CID:	127250713
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	397.197712
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	2.68
IP(EA), eV:	-8.59(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations