Geometry & MOs

Info

ID:	25537
PubChem CID:	626302
Reduced:	N2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	4.28
IP(EA), eV:	-8.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(4-methoxycarbonylphenyl)butyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations