Geometry & MOs

Info

ID:	70670
PubChem CID:	48413696
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	415.190734
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	5.78
IP(EA), eV:	-8.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations