Geometry & MOs

Info

ID:	198550
PubChem CID:	79118505
Reduced:	BrON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	265.184193
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	4.82
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methoxyphenyl)-2-propylazepane

Drug info:

PubChemData

Smile

CNC1CCC(CC1)N(C)CC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations