Geometry & MOs

Info

ID:	191595
PubChem CID:	78165931
Reduced:	Cl2N2O2C29H36 (1)
Stoich.:	A2B2C2D29E36 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-67.12
Dipole, Da:	3.01
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(5-ethoxy-5-oxopent-3-enyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC2(C1CCC34C2CCC(C3)(C5=C4C=NN5C6=CC(=C(C=C6)Cl)Cl)C)C)C

DOS

IR

Vibrations