Geometry & MOs

Info

ID:	208202
PubChem CID:	80503374
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	223.137242
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	1.67
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoro-4-methoxyphenyl)azepane

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)Br)N

DOS

IR

Vibrations