Geometry & MOs

Info

ID:	253412
PubChem CID:	103118299
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	348.98845
ΔH_f, kcal/mol:	-3.97
Dipole, Da:	3.03
IP(EA), eV:	-9.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)methyl]-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)Br)CCN

DOS

IR

Vibrations