Geometry & MOs

Info

ID:	126483
PubChem CID:	50966296
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	4.65
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=C(C=N1)N2CCOC(C2)CCN3CC4=C(C3=O)C=CC=N4

DOS

IR

Vibrations