Geometry & MOs

Info

ID:	199267
PubChem CID:	79224914
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	307.06841
ΔH_f, kcal/mol:	21.02
Dipole, Da:	3.76
IP(EA), eV:	-8.62(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCCC1=C(N(N=C1C)C2=CC(=CC(=C2)C)C)C

DOS

IR

Vibrations