Geometry & MOs

Info

ID:	253415
PubChem CID:	103118307
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	377.99776
ΔH_f, kcal/mol:	-110.31
Dipole, Da:	5.13
IP(EA), eV:	-9.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-iodopyridin-2-yl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC(=O)N2CCOCC2)CCN

DOS

IR

Vibrations