Geometry & MOs

Info

ID:	254060
PubChem CID:	103122453
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	2.22
Dipole, Da:	2.98
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-ethyl-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCBr)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations