Geometry & MOs

Info

ID:	294650
PubChem CID:	117478702
Reduced:	BrN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	297.058341
ΔH_f, kcal/mol:	3.44
Dipole, Da:	2.8
IP(EA), eV:	-8.67(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)C)C2CC(CN2C)CN

DOS

IR

Vibrations