Geometry & MOs

Info

ID:	54898
PubChem CID:	17389508
Reduced:	ClNO2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-144.53
Dipole, Da:	6.8
IP(EA), eV:	-8.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylphenyl)-1H-indol-3-yl]butan-1-amine;oxalic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)C3=CC(=C(C=C3)Cl)Cl)CCCCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations