Geometry & MOs

Info

ID:	254108
PubChem CID:	103122782
Reduced:	BrON4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	14.79
Dipole, Da:	4.11
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C2C=NC=CN2N=C1)CBr

DOS

IR

Vibrations