Geometry & MOs

Info

ID:	331107
PubChem CID:	127248514
Reduced:	ClO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	411.213362
ΔH_f, kcal/mol:	-46.37
Dipole, Da:	2.96
IP(EA), eV:	-8.53(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)C2=NN(C(=C2)CCOC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations