Geometry & MOs

Info

ID:	227523
PubChem CID:	87561920
Reduced:	ON4C26H32 (1)
Stoich.:	AB4C26D32 (1)
Weight, g/mol:	316.150975
ΔH_f, kcal/mol:	50.42
Dipole, Da:	4.71
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane

Drug info:

PubChemData

Smile

CC1=C(C(CCC1N2C=CN=C2)(C)C)C=CC(=CC=C/C(=C\C(=O)C3=NC=CN3)/C)C

DOS

IR

Vibrations