Geometry & MOs

Info

ID:	267707
PubChem CID:	103585636
Reduced:	NF2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	237.107754
ΔH_f, kcal/mol:	-173.26
Dipole, Da:	3.69
IP(EA), eV:	-8.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NCCCC(=O)O)F

DOS

IR

Vibrations