Geometry & MOs

Info

ID:	404856
PubChem CID:	135071523
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-160.76
Dipole, Da:	3.1
IP(EA), eV:	-8.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(but-2-ynoxymethyl)cyclopropyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/CCCC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations