Geometry & MOs

Info

ID:	145621
PubChem CID:	53557594
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	5.14
IP(EA), eV:	-8.85(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CNC=C2C(=O)NCC3=C(N=CC=C3)OC

DOS

IR

Vibrations