Geometry & MOs

Info

ID:	228218
PubChem CID:	87563683
Reduced:	O2F3N6H23C28 (1)
Stoich.:	A2B3C6D23E28 (1)
Weight, g/mol:	250.99458
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	4.24
IP(EA), eV:	-9.3(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[cyclopropyl(isocyanato)methyl]benzene

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2=CC=C(C=C2)C3=CC(=CN=C3)C4=CC(=NC(=C4)NC(=O)C(F)(F)F)C5=CC=CC=N5

DOS

IR

Vibrations