Geometry & MOs

Info

ID:	344065
PubChem CID:	127267241
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	38.19
Dipole, Da:	6.58
IP(EA), eV:	-8.99(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-2-methylpyrazol-3-yl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1)NC(=O)NCC2=NOC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations