Geometry & MOs

Info

ID:	224789
PubChem CID:	85354987
Reduced:	NC30H39 (1)
Stoich.:	AB30C39 (1)
Weight, g/mol:	440.353166
ΔH_f, kcal/mol:	43.41
Dipole, Da:	1.77
IP(EA), eV:	-8.85(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]ethyl]-4-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCCCC(C(=CC1=CC=CC=C1)C(=C)C2=CCCCC2)NCC3=CC=CC=C3

DOS

IR

Vibrations