Geometry & MOs

Info

ID:	28131
PubChem CID:	825769
Reduced:	ClO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	290.062906
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	1.63
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R)-2,2-dichloro-1,3-dimethyl-3-phenylcyclopropyl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC(=O)NN=CC2=CC=CC=N2

DOS

IR

Vibrations