Geometry & MOs

Info

ID:	310859
PubChem CID:	126588239
Reduced:	N2H36C51 (1)
Stoich.:	A2B36C51 (1)
Weight, g/mol:	346.133572
ΔH_f, kcal/mol:	232.91
Dipole, Da:	1.41
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate

Drug info:

PubChemData

Smile

C/C=C(\C=C/N=C)/C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC(=C4)C5=CC(=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations