Geometry & MOs

Info

ID:	159080
PubChem CID:	57260128
Reduced:	ClNSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	4.84
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methoxy-3-(pyridin-2-ylmethoxy)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(C(C1=CSC=C1)Cl)NC=O

DOS

IR

Vibrations