Geometry & MOs

Info

ID:	106853
PubChem CID:	50179062
Reduced:	N2O2C15H20 (2)
Stoich.:	A2B2C15D20 (2)
Weight, g/mol:	547.315855
ΔH_f, kcal/mol:	-161.68
Dipole, Da:	9.21
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations