Geometry & MOs

Info

ID:	267684
PubChem CID:	103584723
Reduced:	NF2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	251.123404
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	2.06
IP(EA), eV:	-8.39(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,5-difluoro-4-methylaniline

Drug info:

PubChemData

Smile

CCCCNC1=C(C=C(C(=C1)F)C)F

DOS

IR

Vibrations