Geometry & MOs

Info

ID:	307707
PubChem CID:	125308323
Reduced:	FO3N8H25C26 (1)
Stoich.:	AB3C8D25E26 (1)
Weight, g/mol:	423.109817
ΔH_f, kcal/mol:	-11.04
Dipole, Da:	3.3
IP(EA), eV:	-8.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-chlorophenyl)methyl]indol-6-yl]-3-[(6R)-3,5-dioxo-6H-1,2,4-triazin-6-yl]propanamide

Drug info:

PubChemData

Smile

C1COC[C@@H](N1)COC(=O)NC2=CN3C(=C2)C(=NC=N3)NC4=CC5=NNC(=C5C=C4)CC6=CC=C(C=C6)F

DOS

IR

Vibrations