Geometry & MOs

Info

ID:	169433
PubChem CID:	75104152
Reduced:	FOPN3C25H39 (1)
Stoich.:	ABCD3E25F39 (1)
Weight, g/mol:	463.27525
ΔH_f, kcal/mol:	-122.61
Dipole, Da:	3.22
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylphenyl)-3-phenylprop-2-ynyl]-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-amine

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=CC=C1F)NP2(=O)N(C3CCCCC3N2C(C)C)C(C)C

DOS

IR

Vibrations