Geometry & MOs

Info

ID:	288274
PubChem CID:	104314515
Reduced:	BrNC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	387.97212
ΔH_f, kcal/mol:	32.06
Dipole, Da:	1.87
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CC(C2=C(C=C(C=N2)Br)Br)N)C

DOS

IR

Vibrations