Geometry & MOs

Info

ID:	283453
PubChem CID:	103982334
Reduced:	BrF2N2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-70.53
Dipole, Da:	4.49
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-4-ylamino)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1CC(CCNC1)NC2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations