Geometry & MOs

Info

ID:	157040
PubChem CID:	56413047
Reduced:	ClFO2N4C23H30 (1)
Stoich.:	ABC2D4E23F30 (1)
Weight, g/mol:	423.233348
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	2.61
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations