Geometry & MOs

Info

ID:	307795
PubChem CID:	125309319
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-127.62
Dipole, Da:	9.61
IP(EA), eV:	-9.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(1R,9aS)-2-ethyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCCC[C@@H]3C4=CN=CC=C4

DOS

IR

Vibrations