Geometry & MOs

Info

ID:	380637
PubChem CID:	134971147
Reduced:	NC12H16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	446.248701
ΔH_f, kcal/mol:	36.49
Dipole, Da:	2.89
IP(EA), eV:	-8.69(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4,5-bis(penta-1,4-dien-3-yl)-1,3-bis[(1S)-1-phenylethyl]-1,3,2lambda5-diazaphospholidine 2-oxide

Drug info:

PubChemData

Smile

C[C@H]1C=CC([C@H]([C@@H]1N[C@@H](C)C2=CC=CC=C2)N[C@@H](C)C3=CC=CC=C3)C

DOS

IR

Vibrations