Geometry & MOs

Info

ID:	143208
PubChem CID:	53164747
Reduced:	OF2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	348.115317
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	3.27
IP(EA), eV:	-8.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-chloro-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=C(C=N2)NC(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations