Geometry & MOs

Info

ID:	426837
PubChem CID:	135154099
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	3.26
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCC(CC1)N2C3=C(C=C(C=C3)C#N)NC2=O

DOS

IR

Vibrations