Geometry & MOs

Info

ID:	188996
PubChem CID:	77800171
Reduced:	O3N7C21H25 (1)
Stoich.:	A3B7C21D25 (1)
Weight, g/mol:	494.21001
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	7.66
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[5-(benzenesulfonyl)-7-pyrazolidin-4-ylpyrrolo[2,3-b]pyrazin-2-yl]cyclohex-3-en-1-yl]morpholine

Drug info:

PubChemData

Smile

CCC=CCOC1=NC=C(N=C1)C(=O)NC2=CC(=NC=C2)C3(CC(=O)N(C(=N3)N)C)C

DOS

IR

Vibrations