Geometry & MOs

Info

ID:	183573
PubChem CID:	77042246
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	354.06914
ΔH_f, kcal/mol:	57.76
Dipole, Da:	3.94
IP(EA), eV:	-8.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1C(CNN1)C2=NC3=C(C=CC=C3N2)N

DOS

IR

Vibrations