Geometry & MOs

Info

ID:	172027
PubChem CID:	75455334
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	9.12
Dipole, Da:	3.4
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=C(ON=C2C)C3=CC=CC=C3

DOS

IR

Vibrations