Geometry & MOs

Info

ID:	312082
PubChem CID:	126602554
Reduced:	O7C40H48 (1)
Stoich.:	A7B40C48 (1)
Weight, g/mol:	366.07895
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	5.23
IP(EA), eV:	-8.87(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] propanoate

Drug info:

PubChemData

Smile

CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CCC(C=C4C3=O)C(=O)C5(OC6(C)C)C/C=C(\C)/C(=O)C)O)C)C

DOS

IR

Vibrations