Geometry & MOs

Info

ID:	255890
PubChem CID:	103135433
Reduced:	BrFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	-128.83
Dipole, Da:	2.8
IP(EA), eV:	-9.31(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC(=CC(=C2)CBr)F

DOS

IR

Vibrations