Geometry & MOs

Info

ID:	166294
PubChem CID:	74665012
Reduced:	BrClNO3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	1.94
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-cyclohexyl-2,4-dioxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)C=CC3=CC=CC=C3Br

DOS

IR

Vibrations