Geometry & MOs

Info

ID:	404522
PubChem CID:	135066585
Reduced:	ClH13C16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	384.154844
ΔH_f, kcal/mol:	53.83
Dipole, Da:	2.19
IP(EA), eV:	-9.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-ethyl (1S,2R)-1-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopropane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@H]2C3=C1C=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations