Geometry & MOs

Info

ID:	214685
PubChem CID:	85083406
Reduced:	N7O7C27H41 (1)
Stoich.:	A7B7C27D41 (1)
Weight, g/mol:	477.326974
ΔH_f, kcal/mol:	-298.02
Dipole, Da:	3.77
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-2-[2-[3-[2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole

Drug info:

PubChemData

Smile

CC(C)C(C=CC(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N)C(=O)O

DOS

IR

Vibrations