Geometry & MOs

Info

ID:	437610
PubChem CID:	135226657
Reduced:	O4N5C32H51 (1)
Stoich.:	A4B5C32D51 (1)
Weight, g/mol:	522.91746
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	5.62
IP(EA), eV:	-7.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-[5-(3-bromo-1,2-dihydropyrazolo[1,5-a]pyrimidin-6-yl)-4-nitro-1H-pyrazol-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=CCCC(=C1N=O)C=NCC(C)(C)CNCCNCC(C)(C)CN/C=C\2/C=CC=C(C2=O)OC(C)C

DOS

IR

Vibrations