Geometry & MOs

Info

ID:	146623
PubChem CID:	53719442
Reduced:	N2O3C28H34 (1)
Stoich.:	A2B3C28D34 (1)
Weight, g/mol:	194.084398
ΔH_f, kcal/mol:	-73.67
Dipole, Da:	7.68
IP(EA), eV:	-8.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-9H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CCCCC1=C2C=C(C=CC2=C(C=C1C=CC(=O)NCCCCC3=CN=CC=C3)OC)OC

DOS

IR

Vibrations