Geometry & MOs

Info

ID:	331856
PubChem CID:	127250142
Reduced:	ClN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	392.171162
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	4.35
IP(EA), eV:	-9.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCOC(C1)C2=NC=C(C=C2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations