Geometry & MOs

Info

ID:	331776
PubChem CID:	127250060
Reduced:	ClO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	2.07
Dipole, Da:	3.08
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations