Geometry & MOs

Info

ID:	354689
PubChem CID:	127287388
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	399.172498
ΔH_f, kcal/mol:	-151.76
Dipole, Da:	4.09
IP(EA), eV:	-8.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)N2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations