Geometry & MOs

Info

ID:	312300
PubChem CID:	126604166
Reduced:	N2O2H16C19 (2)
Stoich.:	A2B2C16D19 (2)
Weight, g/mol:	424.04408
ΔH_f, kcal/mol:	19.74
Dipole, Da:	16.39
IP(EA), eV:	-8.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-bromo-5-chloro-4-ethylphenoxy)methyl]-3-ethylphenyl] propanoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)/C(=C(\C#N)/C(=O)O)/C3=CC=CC(=C3)CN(CC4=CC=CC=C4)C5=CC=C(C=C5)/C=C(\C#N)/C(=O)O

DOS

IR

Vibrations