Geometry & MOs

Info

ID:	368068
PubChem CID:	127327169
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-93.76
Dipole, Da:	3.88
IP(EA), eV:	-8.94(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-5-oxo-N-[1-(1-phenylethyl)piperidin-4-yl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(CC2)NC(=O)C3CC(=O)N(C3)C4CCCC4

DOS

IR

Vibrations