Geometry & MOs

Info

ID:	352147
PubChem CID:	127283215
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	5.21
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylazepan-1-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)NC3(CCCC3)C4=CC5=C(C=C4)OCCO5)N=N1

DOS

IR

Vibrations