Geometry & MOs

Info

ID:	439205
PubChem CID:	135228970
Reduced:	N2C23H34 (1)
Stoich.:	A2B23C34 (1)
Weight, g/mol:	282.078662
ΔH_f, kcal/mol:	21.85
Dipole, Da:	4.05
IP(EA), eV:	-8.27(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC=CC=C1C(C)CC(C2CCCCC2)NC=C

DOS

IR

Vibrations