Geometry & MOs

Info

ID:	296945
PubChem CID:	117602037
Reduced:	O3N5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	411.189317
ΔH_f, kcal/mol:	45.82
Dipole, Da:	4.57
IP(EA), eV:	-7.82(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethenyl acetate;1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate

Drug info:

PubChemData

Smile

COC1=CC=C2CCC(=C2C1)NC(=O)C3=CN=C(C=C3)N4C(=O)C(=CN4)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations