Geometry & MOs

Info

ID:	364190
PubChem CID:	127314488
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	348.187149
ΔH_f, kcal/mol:	-36.74
Dipole, Da:	5.93
IP(EA), eV:	-8.44(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=CC(=NN2)NC(=O)C3CCSCC3

DOS

IR

Vibrations