Geometry & MOs

Info

ID:	288325
PubChem CID:	104314983
Reduced:	OBr2N2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	401.98777
ΔH_f, kcal/mol:	12.69
Dipole, Da:	2.2
IP(EA), eV:	-8.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(C=C1)OC)C)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations