Geometry & MOs

Info

ID:	367690
PubChem CID:	127325410
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	30.74
Dipole, Da:	4.17
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-pyridin-3-ylbutanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations