Geometry & MOs

Info

ID:	47220
PubChem CID:	10530726
Reduced:	NSO4H33C34 (1)
Stoich.:	ABC4D33E34 (1)
Weight, g/mol:	551.293663
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	6.12
IP(EA), eV:	-8.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C4=CC=CC=C43)OC)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

DOS

IR

Vibrations