Geometry & MOs

Info

ID:	61092
PubChem CID:	26705553
Reduced:	NCl2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	3.3
IP(EA), eV:	-9.17(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations