Geometry & MOs

Info

ID:	340739
PubChem CID:	127262750
Reduced:	ClP2C36H39 (1)
Stoich.:	AB2C36D39 (1)
Weight, g/mol:	393.258537
ΔH_f, kcal/mol:	40.68
Dipole, Da:	2.11
IP(EA), eV:	-8.29(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(1-adamantyl)phosphanyl]aniline

Drug info:

PubChemData

Smile

C1CCC(CC1)P(C2CCCCC2)C3=C(C(=CC=C3)Cl)C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations