Geometry & MOs

Info

ID:	219237
PubChem CID:	85096671
Reduced:	O3C31H50 (1)
Stoich.:	A3B31C50 (1)
Weight, g/mol:	470.04773
ΔH_f, kcal/mol:	-199.85
Dipole, Da:	7.83
IP(EA), eV:	-9.24(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyano-(3-phenoxyphenyl)methyl] 3-(2-bromo-2-nitroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4=O)(C)OC(=O)C)C)C)C

DOS

IR

Vibrations