Geometry & MOs

Info

ID:	296388
PubChem CID:	117571737
Reduced:	BrN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	278.04186
ΔH_f, kcal/mol:	56.54
Dipole, Da:	4.58
IP(EA), eV:	-8.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-3-methylanilino)methyl]cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=CC(=CC=C2)Br)C#N

DOS

IR

Vibrations