Geometry & MOs

Info

ID:	171544
PubChem CID:	75391779
Reduced:	N3O5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-209.25
Dipole, Da:	2.75
IP(EA), eV:	-8.82(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(CC(O1)CN2CCN(CC2)CC(=O)N3CCOCC3)C(=O)OC

DOS

IR

Vibrations