Geometry & MOs

Info

ID:	207061
PubChem CID:	80341587
Reduced:	NF2O2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	302.141262
ΔH_f, kcal/mol:	-106.1
Dipole, Da:	3.26
IP(EA), eV:	-9.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=NC=C1)OC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations