Geometry & MOs

Info

ID:	112517
PubChem CID:	50409948
Reduced:	FO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-165.47
Dipole, Da:	9.09
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations