Geometry & MOs

Info

ID:	44065
PubChem CID:	10500638
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	390.05791
ΔH_f, kcal/mol:	-134.4
Dipole, Da:	1.77
IP(EA), eV:	-9.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate;bromide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C([C@@H]2CCCN2C(=O)/C=C/C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations