Geometry & MOs

Info

ID:	12819
PubChem CID:	146083
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-78.96
Dipole, Da:	4.64
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)oxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)OC1=CC2=C(CCC(=C2)N3C=CN=C3)C=C1

DOS

IR

Vibrations