Geometry & MOs

Info

ID:	209492
PubChem CID:	80679838
Reduced:	BrClFNC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	305.99347
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	1.73
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromocyclobutyl)methyl]-5-chloro-3-fluoro-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCN(CCBr)CC1=C(C=CC=C1Cl)F

DOS

IR

Vibrations