Geometry & MOs

Info

ID:	284784
PubChem CID:	104071389
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	2.49
Dipole, Da:	5.42
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)furan-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(O2)C=O)C3=CC=CC=N3

DOS

IR

Vibrations