Geometry & MOs

Info

ID:	317110
PubChem CID:	126632526
Reduced:	NPH20C29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	413.133337
ΔH_f, kcal/mol:	120.83
Dipole, Da:	3.0
IP(EA), eV:	-8.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-methyl-3-phenyl-14-aza-3-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene

Drug info:

PubChemData

Smile

CN1C2=C(C3=CC=CC=C3C=C2)C4=C1C=CC5=C4C6=CC=CC=C6P5C7=CC=CC=C7

DOS

IR

Vibrations