Geometry & MOs

Info

ID:	282588
PubChem CID:	103932033
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	288.05857
ΔH_f, kcal/mol:	-25.92
Dipole, Da:	3.35
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NC(C)C1=CSC=C1

DOS

IR

Vibrations