Geometry & MOs

Info

ID:	379645
PubChem CID:	134453394
Reduced:	NO7H23C26 (2)
Stoich.:	AB7C23D26 (2)
Weight, g/mol:	801.33955
ΔH_f, kcal/mol:	-358.62
Dipole, Da:	1.55
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(10-phenylphenanthren-9-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline

Drug info:

PubChemData

Smile

C=CC(=O)OCC(COC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COC(=O)C=C)OC(=O)C=C)CNNC4C5=CC=CC=C5C6=CC=CC=C46)OC(=O)C=C

DOS

IR

Vibrations