Geometry & MOs

Info

ID:	74080
PubChem CID:	48421434
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	386.188881
ΔH_f, kcal/mol:	-112.27
Dipole, Da:	11.75
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C)C

DOS

IR

Vibrations