Geometry & MOs

Info

ID:	288219
PubChem CID:	104313684
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	401.98777
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	2.5
IP(EA), eV:	-8.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-ethyl-5-methylpyrazol-3-yl)-1-(3-bromopyridin-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CNC(CCC1CCCO1)C2=C(C=CC=N2)Br

DOS

IR

Vibrations