Geometry & MOs

Info

ID:	293294
PubChem CID:	117382814
Reduced:	ClNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	250.96942
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	3.69
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(isocyanatomethyl)-2H-indazole

Drug info:

PubChemData

Smile

C1CCC2=C(C(=C(C=C2C1)Cl)O)C3CCNC3

DOS

IR

Vibrations