Geometry & MOs

Info

ID:	275788
PubChem CID:	103817773
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	14.79
Dipole, Da:	3.12
IP(EA), eV:	-7.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)NCC3=C(C=CO3)Br

DOS

IR

Vibrations