Geometry & MOs

Info

ID:	415676
PubChem CID:	135088675
Reduced:	O4N8C33H40 (1)
Stoich.:	A4B8C33D40 (1)
Weight, g/mol:	330.149204
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	5.39
IP(EA), eV:	-8.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(5-fluoro-1H-indol-2-yl)methyl-methylamino]ethyl]-3-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=CN6C=CC=NC6=N5)C(C)C

DOS

IR

Vibrations