Geometry & MOs

Info

ID:	172073
PubChem CID:	75462594
Reduced:	SN5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	393.181919
ΔH_f, kcal/mol:	95.41
Dipole, Da:	0.97
IP(EA), eV:	-8.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN=C(NCC=C)NCC2=CC=CS2

DOS

IR

Vibrations