Geometry & MOs

Info

ID:	397502
PubChem CID:	135030308
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	347.188529
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	0.94
IP(EA), eV:	-8.13(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,4-dimethoxyphenyl)hept-2-ynyl]-1H-indole

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)CC

DOS

IR

Vibrations