Geometry & MOs

Info

ID:	233163
PubChem CID:	87692707
Reduced:	FO2N3H24C27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	6.15
Dipole, Da:	3.55
IP(EA), eV:	-8.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxiran-2-yl)but-3-en-2-yl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)/C(=N\OC(=O)N(C3=CC=CC=C3)C4=CC=C(C=C4)F)/C)C

DOS

IR

Vibrations