Geometry & MOs

Info

ID:	405681
PubChem CID:	135074995
Reduced:	O4H20C23 (1)
Stoich.:	A4B20C23 (1)
Weight, g/mol:	378.146724
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	6.3
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]cyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)/C(=C\C2=CC=CC=C2C#CC3CC3)/C(=O)OC

DOS

IR

Vibrations