Geometry & MOs

Info

ID:	154125
PubChem CID:	56313515
Reduced:	FO2N6C20H23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	462.206719
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	1.69
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations