Geometry & MOs

Info

ID:	289620
PubChem CID:	104360678
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	310.090662
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	5.6
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine-3-carbothioamide

Drug info:

PubChemData

Smile

C1CCC(C(CC1)O)NCC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations