Geometry & MOs

Info

ID:	253422
PubChem CID:	103118340
Reduced:	BrON5H10C13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	394.99309
ΔH_f, kcal/mol:	71.71
Dipole, Da:	5.17
IP(EA), eV:	-9.23(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-iodophenyl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations