Geometry & MOs

Info

ID:	349634
PubChem CID:	127275786
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	399.172498
ΔH_f, kcal/mol:	-154.45
Dipole, Da:	2.04
IP(EA), eV:	-8.55(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCCC2C3=C4C(=CC=C3)OCCO4)C

DOS

IR

Vibrations