Geometry & MOs

Info

ID:	312212
PubChem CID:	126603605
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	418.107517
ΔH_f, kcal/mol:	66.93
Dipole, Da:	2.06
IP(EA), eV:	-7.94(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1N(C2=CC=CC=C2N1C3=CC=CC=C3CC=C)C

DOS

IR

Vibrations