Geometry & MOs

Info

ID:	436746
PubChem CID:	135210330
Reduced:	N2O3H18C27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	39.41
Dipole, Da:	3.83
IP(EA), eV:	-8.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-piperidin-1-yl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4=C(C(=O)C4=O)C5=CNC6=C5C=C(C=C6)CO

DOS

IR

Vibrations