Geometry & MOs

Info

ID:	120804
PubChem CID:	50745165
Reduced:	ClO2N5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-39.99
Dipole, Da:	7.84
IP(EA), eV:	-8.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CN4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations