Geometry & MOs

Info

ID:	398777
PubChem CID:	135035369
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	2.08
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oct-7-en-1-ynylpyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)C

DOS

IR

Vibrations