Geometry & MOs

Info

ID:	441707
PubChem CID:	135241562
Reduced:	ION8H19C22 (1)
Stoich.:	ABC8D19E22 (1)
Weight, g/mol:	245.01637
ΔH_f, kcal/mol:	158.36
Dipole, Da:	3.11
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=N1)CN2C=C(N=N2)C3=CC(=NC(=N3)N)C4=C(C=CC=C4I)C#N)OC

DOS

IR

Vibrations