Geometry & MOs

Info

ID:	295161
PubChem CID:	117519382
Reduced:	BrNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	356.97828
ΔH_f, kcal/mol:	-182.31
Dipole, Da:	5.02
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C(=C2OC1)C3CC(CN3)C(=O)O)O)Br

DOS

IR

Vibrations