Geometry & MOs

Info

ID:	332999
PubChem CID:	127251423
Reduced:	ClN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	392.171162
ΔH_f, kcal/mol:	-65.19
Dipole, Da:	5.58
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=NC(=CC(=C2)CC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations