Geometry & MOs

Info

ID:	143210
PubChem CID:	53164749
Reduced:	ClFON4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	344.164854
ΔH_f, kcal/mol:	-37.21
Dipole, Da:	3.68
IP(EA), eV:	-8.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)pyrimidin-5-yl]-3-fluoro-4-methoxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations