Geometry & MOs

Info

ID:	331862
PubChem CID:	127250148
Reduced:	FN2O2C25H27 (1)
Stoich.:	AB2C2D25E27 (1)
Weight, g/mol:	378.155512
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	2.43
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations