Geometry & MOs

Info

ID:	286891
PubChem CID:	104223410
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	34.47
Dipole, Da:	4.5
IP(EA), eV:	-9.5(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=C(C=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations