Geometry & MOs

Info

ID:	54897
PubChem CID:	17389507
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	422.080013
ΔH_f, kcal/mol:	-153.87
Dipole, Da:	8.62
IP(EA), eV:	-8.25(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3N2)CCCCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations