Geometry & MOs

Info

ID:	267390
PubChem CID:	103582085
Reduced:	FOCl2N2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-96.21
Dipole, Da:	7.58
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-chloro-4-methylbenzoate

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations