Geometry & MOs

Info

ID:	30126
PubChem CID:	840186
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	325.999175
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	5.12
IP(EA), eV:	-8.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2,2,2-trichloro-1-morpholin-4-ylethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=C(C=CC=C3OC)OC

DOS

IR

Vibrations