Geometry & MOs

Info

ID:	199407
PubChem CID:	79242209
Reduced:	BrOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	41.59
Dipole, Da:	4.24
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)N2C3=C(C=C(C=C3)Br)NC2=S

DOS

IR

Vibrations