Geometry & MOs

Info

ID:	199268
PubChem CID:	79224915
Reduced:	BrN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	335.09971
ΔH_f, kcal/mol:	46.48
Dipole, Da:	3.15
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=CC=C2)Br)C)CCCN

DOS

IR

Vibrations