Geometry & MOs

Info

ID:	149858
PubChem CID:	53789537
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	4.49
IP(EA), eV:	-9.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-3-[4-(1-methyl-6-nitroindol-3-yl)-1H-pyrrol-3-yl]indole

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(=O)C=C(C)C

DOS

IR

Vibrations