Geometry & MOs

Info

ID:	151075
PubChem CID:	53790772
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	384.23006
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	6.74
IP(EA), eV:	-9.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propoxyphenyl) 4-(1-hexoxyethyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C)C2=CC=C(C=C2)C(=N)N)C(=O)O

DOS

IR

Vibrations