Geometry & MOs

Info

ID:	150467
PubChem CID:	53790157
Reduced:	N4O5C11H14 (1)
Stoich.:	A4B5C11D14 (1)
Weight, g/mol:	429.089849
ΔH_f, kcal/mol:	-112.88
Dipole, Da:	6.09
IP(EA), eV:	-9.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dichloro-2-[cyano-(3-phenoxyphenyl)methyl]-2-cyclopropyl-3-methylpent-4-enoic acid

Drug info:

PubChemData

Smile

CC(C1C2CC(=C(N2C1=O)C(=O)O)COCN=[N+]=[N-])O

DOS

IR

Vibrations