Geometry & MOs

Info

ID:	400992
PubChem CID:	135049668
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	417.316052
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	3.43
IP(EA), eV:	-10.47(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-tert-butyl-2-methoxy-3-methyl-1-(2,4,6-tritert-butylphenyl)imino-1lambda5-phosphirene

Drug info:

PubChemData

Smile

CCCCCCCC/C(=C/CO)/C#N

DOS

IR

Vibrations