Geometry & MOs

Info

ID:	254866
PubChem CID:	103128324
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	306.099587
ΔH_f, kcal/mol:	11.17
Dipole, Da:	3.41
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-(2-methoxyethyl)pyrazol-3-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C(C2=C3C=CC=CN3N=C2)N

DOS

IR

Vibrations