Geometry & MOs

Info

ID:	55012
PubChem CID:	17389658
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	194.96836
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	1.57
IP(EA), eV:	-8.74(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-isocyano-2-methylbenzene

Drug info:

PubChemData

Smile

CCCC1CCCCCN1.C(=O)(C(=O)O)O

DOS

IR

Vibrations