Geometry & MOs

Info

ID:	71077
PubChem CID:	48414256
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	1.64
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations