Geometry & MOs

Info

ID:	363416
PubChem CID:	127311219
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	3.07
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-phenyl-5-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC(C)NC(=O)CN2C(=O)C3=CC=NN3C=N2

DOS

IR

Vibrations