Geometry & MOs

Info

ID:	298141
PubChem CID:	117647703
Reduced:	NO2C17H22 (2)
Stoich.:	AB2C17D22 (2)
Weight, g/mol:	449.283098
ΔH_f, kcal/mol:	-163.76
Dipole, Da:	3.81
IP(EA), eV:	-8.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[(E)-3-aminoprop-1-enyl]-5-[3-[3-[(E)-3-aminoprop-1-enyl]-5-[(E)-but-1-enyl]phenyl]phenyl]phenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCCOC1=CC(=CC(=C1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)CCCNC(=O)OC(C)(C)C)OCCCC

DOS

IR

Vibrations