Geometry & MOs

Info

ID:	396379
PubChem CID:	135028231
Reduced:	IO4C25H35 (1)
Stoich.:	AB4C25D35 (1)
Weight, g/mol:	532.10966
ΔH_f, kcal/mol:	-145.4
Dipole, Da:	5.99
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[4-[(1R)-1-(2-amino-2,3-dihydro-1H-imidazol-3-ium-4-yl)ethyl]-7-hydroxy-1H-indol-3-yl]-3-(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

C[C@H](COCC1=CC=C(C=C1)OC)C2CCC[C@@]3(O2)CC[C@H](O3)/C=C(\C)/CC(=C)I

DOS

IR

Vibrations