Geometry & MOs

Info

ID:	388045
PubChem CID:	134987949
Reduced:	BrNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	209.024356
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	4.19
IP(EA), eV:	-9.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanato-3-phenylpropanoyl chloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(N=C=O)Br

DOS

IR

Vibrations