Geometry & MOs

Info

ID:	282074
PubChem CID:	103915258
Reduced:	BrN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	341.02944
ΔH_f, kcal/mol:	58.08
Dipole, Da:	7.19
IP(EA), eV:	-9.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromophenyl)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Br)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations