Geometry & MOs

Info

ID:	298924
PubChem CID:	117664388
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	-134.53
Dipole, Da:	4.9
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(1-oxidopyrrolidin-1-ium-1-yl)pyridin-2-yl]-5-(6-propan-2-yloxypyrazin-2-yl)-1H-indole

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)O)/C=C(\C)/C2=CC=CC=C2)OC

DOS

IR

Vibrations