Geometry & MOs

Info

ID:	413392
PubChem CID:	135086341
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	444.168522
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	2.61
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(Z)-2-(3-formyl-1H-indol-2-yl)-3-methoxy-3-oxoprop-1-enyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC=C1/C=C(/C2=C(C3=CC=CC=C3N2)C=O)\C(=O)OC

DOS

IR

Vibrations