Geometry & MOs

Info

ID:	157041
PubChem CID:	56413048
Reduced:	F2N3O3C22H31 (1)
Stoich.:	A2B3C3D22E31 (1)
Weight, g/mol:	437.248998
ΔH_f, kcal/mol:	-226.39
Dipole, Da:	3.45
IP(EA), eV:	-8.97(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations