Geometry & MOs

Info

ID:	47221
PubChem CID:	10530727
Reduced:	ON3H37C38 (1)
Stoich.:	AB3C37D38 (1)
Weight, g/mol:	551.293663
ΔH_f, kcal/mol:	102.68
Dipole, Da:	2.4
IP(EA), eV:	-8.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-N-[(4-methoxyphenyl)methyl]-2-N-tritylpropane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNCC(CC2=CNC3=CC=CC=C32)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations