Geometry & MOs

Info

ID:	447125
PubChem CID:	135280471
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	304.157563
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	4.3
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(azetidin-3-yl)-1H-indol-6-yl]-4-ethenyl-5-methylphenol

Drug info:

PubChemData

Smile

C=CC(=O)N1CC(C1)N2C=CC3=C2C=CC(=C3C(=O)N)C4=CC(=CC5=CC=CC=C54)O

DOS

IR

Vibrations