Geometry & MOs

Info

ID:	157918
PubChem CID:	56459008
Reduced:	OF3N3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	468.273656
ΔH_f, kcal/mol:	-95.0
Dipole, Da:	1.41
IP(EA), eV:	-9.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[(4-morpholin-4-ylphenyl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C(=O)NC2=CC=C(C=C2)CN3C=CC=N3)/C(F)(F)F

DOS

IR

Vibrations