Geometry & MOs

Info

ID:	254070
PubChem CID:	103122506
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	351.09462
ΔH_f, kcal/mol:	10.61
Dipole, Da:	6.06
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-1-methyl-N-pentan-3-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations