Geometry & MOs

Info

ID:	143207
PubChem CID:	53164746
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	332.144868
ΔH_f, kcal/mol:	50.31
Dipole, Da:	4.96
IP(EA), eV:	-8.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)pyrimidin-5-yl]-3,5-difluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations