Geometry & MOs

Info

ID:	329887
PubChem CID:	127246754
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	6.19
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCC(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations