Geometry & MOs

Info

ID:	331745
PubChem CID:	127250029
Reduced:	ClON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	416.182396
ΔH_f, kcal/mol:	40.26
Dipole, Da:	3.87
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations