Geometry & MOs

Info

ID:	290272
PubChem CID:	104426379
Reduced:	BrOSN3C10H16 (1)
Stoich.:	ABCD3E10F16 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	3.22
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCNC1=NC(=CS1)Br

DOS

IR

Vibrations