Geometry & MOs

Info

ID:	158470
PubChem CID:	56463745
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	451.214092
ΔH_f, kcal/mol:	-10.63
Dipole, Da:	3.32
IP(EA), eV:	-8.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2OC)N(C)C3CC3

DOS

IR

Vibrations