Geometry & MOs

Info

ID:	165568
PubChem CID:	74568065
Reduced:	ON4C21H34 (1)
Stoich.:	AB4C21D34 (1)
Weight, g/mol:	414.183795
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	4.07
IP(EA), eV:	-8.78(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methylpyrazolidine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)N2CC(CC2C(=O)NC)NCC3=CC=CC=C3

DOS

IR

Vibrations