Geometry & MOs

Info

ID:	253429
PubChem CID:	103118373
Reduced:	FO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	330.01162
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	2.63
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromopyridin-2-yl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CC=CC=C2F)CCN

DOS

IR

Vibrations