Geometry & MOs

Info

ID:	441704
PubChem CID:	135241451
Reduced:	ON8H22C23 (1)
Stoich.:	AB8C22D23 (1)
Weight, g/mol:	274.99055
ΔH_f, kcal/mol:	130.74
Dipole, Da:	8.03
IP(EA), eV:	-9.29(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)OCC1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations