Geometry & MOs

Info

ID:	392485
PubChem CID:	135016888
Reduced:	NOH17C21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	46.15
Dipole, Da:	2.92
IP(EA), eV:	-8.28(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butyl-5-methoxyphenyl)-1H-indole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC=CC=C2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations