Geometry & MOs

Info

ID:	165697
PubChem CID:	74584887
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	9.79
IP(EA), eV:	-8.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-1-(3-methoxyphenyl)-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C[NH+]1CCC2=C(C1C3C(N(C(=O)NC3=O)C4=CC(=CC=C4)OC)[O-])NC5=CC=CC=C25

DOS

IR

Vibrations