Geometry & MOs

Info

ID:	191776
PubChem CID:	78187573
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	411.263425
ΔH_f, kcal/mol:	9.46
Dipole, Da:	6.4
IP(EA), eV:	-8.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-10-one

Drug info:

PubChemData

Smile

CCN1C2C(CCCN2)C(=O)N(C3C1NC(CC3)C4=CNC5=CC=CC=C54)C

DOS

IR

Vibrations