Geometry & MOs

Info

ID:	379590
PubChem CID:	134448258
Reduced:	NO2H29C35 (1)
Stoich.:	AB2C29D35 (1)
Weight, g/mol:	455.188529
ΔH_f, kcal/mol:	46.71
Dipole, Da:	1.04
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dinaphthalen-1-ylmethyl 3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C(=O)OC(C2=CC=CC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)N6C=CC=C6

DOS

IR

Vibrations