Geometry & MOs

Info

ID:	138879
PubChem CID:	52438586
Reduced:	ClN2O3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	363.19582
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	1.55
IP(EA), eV:	-8.3(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)COC[C@@H](CN2CCN(CC2)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations