Geometry & MOs

Info

ID:	81893
PubChem CID:	49855312
Reduced:	ClNO4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	337.264374
ΔH_f, kcal/mol:	-141.58
Dipole, Da:	6.17
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pentyl]azanium

Drug info:

PubChemData

Smile

CN(C)CC1CCC/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)/C1=O.Cl

DOS

IR

Vibrations