Geometry & MOs

Info

ID:	147978
PubChem CID:	53787640
Reduced:	NOC15H19 (2)
Stoich.:	ABC15D19 (2)
Weight, g/mol:	485.252586
ΔH_f, kcal/mol:	-50.42
Dipole, Da:	4.36
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]prop-2-enoyl]piperidine-3-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC

DOS

IR

Vibrations