Geometry & MOs

Info

ID:	196863
PubChem CID:	78888728
Reduced:	ON3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	408.105625
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	4.14
IP(EA), eV:	-8.58(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)N1CCN(CC1)CC(C)C)C2=CC=CC=C2

DOS

IR

Vibrations