Geometry & MOs

Info

ID:	176523
PubChem CID:	76062018
Reduced:	P2N5O6C11H18 (1)
Stoich.:	A2B5C6D11E18 (1)
Weight, g/mol:	525.11509
ΔH_f, kcal/mol:	-231.22
Dipole, Da:	11.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754092
Charge, e:	0

Chem-info

IUPAC name:

[cyano-(3-phenoxyphenyl)methyl] 3-(2-bromo-3-butan-2-yloxy-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=NC2C(=NC(=NC2=O)N)N1CCCCCOP(=CP(=O)(O)O)=O

DOS

IR

Vibrations