Geometry & MOs

Info

ID:	441185
PubChem CID:	135233498
Reduced:	O2N5C26H43 (1)
Stoich.:	A2B5C26D43 (1)
Weight, g/mol:	693.289246
ΔH_f, kcal/mol:	-119.15
Dipole, Da:	6.7
IP(EA), eV:	-8.33(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexa-1,3-dien-5-yn-1-yl-3-[1-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-2-phenylindol-3-yl]-1-phenylindole

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)C2CCC(=O)N(C2)C)C3=NC(=C(C=C3)NCC(C)(C)C)NC)C

DOS

IR

Vibrations