Geometry & MOs

Info

ID:	289041
PubChem CID:	104332352
Reduced:	BrFNOC15H19 (1)
Stoich.:	ABCDE15F19 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	4.45
IP(EA), eV:	-9.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-3-cyclopropylazetidin-1-yl)-(4-fluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2CCCCCC2Br

DOS

IR

Vibrations