Geometry & MOs

Info

ID:	406103
PubChem CID:	135076577
Reduced:	NOPC21H28 (1)
Stoich.:	ABCD21E28 (1)
Weight, g/mol:	322.097187
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	2.68
IP(EA), eV:	-9.08(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S)-3-[(Z)-2-chloro-3-oxo-3-phenylmethoxyprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)P(=O)(C2=C(C=CC=C2C)C)/N=C/C(C)(C)C

DOS

IR

Vibrations