Geometry & MOs

Info

ID:	131441
PubChem CID:	51205416
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	5.19
IP(EA), eV:	-8.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CC3=CSC(=N3)C4=CN=CC=C4

DOS

IR

Vibrations