Geometry & MOs

Info

ID:	368705
PubChem CID:	127329913
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	3.58
IP(EA), eV:	-9.19(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCCCN1C(=O)NCC2=COC(=N2)C3=CC=CS3

DOS

IR

Vibrations