Geometry & MOs

Info

ID:	14899
PubChem CID:	423600
Reduced:	PC25H30 (1)
Stoich.:	AB25C30 (1)
Weight, g/mol:	362.216338
ΔH_f, kcal/mol:	114.84
Dipole, Da:	9.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942771
Charge, e:	0

Chem-info

IUPAC name:

benzyl-bis(3,3-dimethylbut-1-ynyl)-phenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

CC(C)(C)C#CP(CC1=CC=CC=C1)(C#CC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations