Geometry & MOs

Info

ID:	191775
PubChem CID:	78187572
Reduced:	NOC13H16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	3.21
IP(EA), eV:	-9.23(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CN2C(C(C(N(C2=O)CC3CC3)CC4=CC=CC=C4)O)CC5=CC=CC=C5

DOS

IR

Vibrations