Geometry & MOs

Info

ID:	365205
PubChem CID:	127317022
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-80.59
Dipole, Da:	2.25
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-benzoylpiperidin-4-yl)-methylamino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)CN(C)C3CCN(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations