Geometry & MOs

Info

ID:	425881
PubChem CID:	135129128
Reduced:	SO2N6C23H26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	373.139956
ΔH_f, kcal/mol:	33.01
Dipole, Da:	8.83
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-2-[(1-pyridin-4-ylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)OC4CCOCC4)N(C=C3)C5=CC(=CC=C5)N(C)C

DOS

IR

Vibrations