Geometry & MOs

Info

ID:	191777
PubChem CID:	78187574
Reduced:	O2N5C23H33 (1)
Stoich.:	A2B5C23D33 (1)
Weight, g/mol:	399.243439
ΔH_f, kcal/mol:	-31.6
Dipole, Da:	7.55
IP(EA), eV:	-8.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-(5-fluoro-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=C4C=C(C=C5)OC)C

DOS

IR

Vibrations