Geometry & MOs

Info

ID:	155188
PubChem CID:	56320989
Reduced:	N2O5C24H32 (1)
Stoich.:	A2B5C24D32 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-190.96
Dipole, Da:	10.72
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)O)OC

DOS

IR

Vibrations