Geometry & MOs

Info

ID:	319574
PubChem CID:	126656684
Reduced:	PN6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	784.345364
ΔH_f, kcal/mol:	97.0
Dipole, Da:	5.4
IP(EA), eV:	-8.11(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14E)-N,N,12-tris(4-phenylphenyl)-23-oxa-12-azapentacyclo[11.11.0.02,11.03,8.017,22]tetracosa-1(13),2(11),3,5,7,14,17,19,21-nonaen-14-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1N(C)C2=CC3=C(C(=C2)N(C)PC)N=CN3C)C#N

DOS

IR

Vibrations