Geometry & MOs

Info

ID:	288323
PubChem CID:	104314977
Reduced:	BrNC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	435.9488
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	2.4
IP(EA), eV:	-8.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2,5-dimethylpyrazol-3-yl)-1-(3,5-dibromopyridin-2-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(C2=C(C=C(C=N2)Br)Br)NCC

DOS

IR

Vibrations