Geometry & MOs

Info

ID:	206115
PubChem CID:	80206914
Reduced:	NF2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	237.107754
ΔH_f, kcal/mol:	-168.76
Dipole, Da:	3.36
IP(EA), eV:	-10.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,5-difluorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)F)F)(C(=O)N)O

DOS

IR

Vibrations