Geometry & MOs

Info

ID:	267302
PubChem CID:	103581701
Reduced:	BrClNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	272.99199
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	4.98
IP(EA), eV:	-9.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]cyclobutanamine

Drug info:

PubChemData

Smile

CCC(C)(CNCC1=CC(=C(C=C1)Br)Cl)O

DOS

IR

Vibrations