Geometry & MOs

Info

ID:	168109
PubChem CID:	74924297
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-182.74
Dipole, Da:	5.1
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[2-(4-methyl-6-oxo-1,3-diazinan-2-yl)-5-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(OC2=CC(=C(C=C12)C(=CC(=O)N3CCCC3C(=O)O)C)OC)C

DOS

IR

Vibrations