Geometry & MOs

Info

ID:	417790
PubChem CID:	135102769
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	-64.4
Dipole, Da:	5.75
IP(EA), eV:	-9.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)CC(CO2)NC(=O)CCCC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations