Geometry & MOs

Info

ID:	148284
PubChem CID:	53787946
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	330.110338
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	2.51
IP(EA), eV:	-8.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-ethyl-4-oxobut-2-enoyl)oxyphenyl] 2-ethyl-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C=CC2=CC(=C(C=C2)OC(=O)C)OC

DOS

IR

Vibrations