Geometry & MOs

Info

ID:	423782
PubChem CID:	135120210
Reduced:	O5N7C35H47 (1)
Stoich.:	A5B7C35D47 (1)
Weight, g/mol:	315.138305
ΔH_f, kcal/mol:	-179.29
Dipole, Da:	11.38
IP(EA), eV:	-9.25(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-fluoro-1H-indol-2-yl)methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C3CCN(CC3)C(=O)C4=CN=CC=C4)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations