Geometry & MOs

Info

ID:	308268
PubChem CID:	125325180
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-6.0
Dipole, Da:	6.7
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(1S,9aR)-2-methyl-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

C1C[C@H](OC1)COC2=CC=C(C=C2)C3=CN=NC3

DOS

IR

Vibrations