Geometry & MOs

Info

ID:	340743
PubChem CID:	127262754
Reduced:	NPC27H27 (1)
Stoich.:	ABC27D27 (1)
Weight, g/mol:	537.352438
ΔH_f, kcal/mol:	81.99
Dipole, Da:	8.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954076
Charge, e:	0

Chem-info

IUPAC name:

bis(1-adamantyl)-[2-(3-piperidin-1-ylphenyl)phenyl]phosphane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3[P+](C)(C)C4=CC=CC=C4

DOS

IR

Vibrations