Geometry & MOs

Info

ID:	255610
PubChem CID:	103133372
Reduced:	BrON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	32.17
Dipole, Da:	3.87
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-methoxy-1-(1-methylpyrazol-3-yl)pentan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=C(C=C(C=C2)Br)N

DOS

IR

Vibrations