Geometry & MOs

Info

ID:	254752
PubChem CID:	103127394
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	76.75
Dipole, Da:	4.54
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylcyclohexyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

Drug info:

PubChemData

Smile

CCCNC(C1=CSC(=C1)C)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations