Geometry & MOs

Info

ID:	427753
PubChem CID:	135162043
Reduced:	SO3N7C26H27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	465.237604
ΔH_f, kcal/mol:	21.82
Dipole, Da:	6.77
IP(EA), eV:	-8.94(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,6-dimethylmorpholine-4-carbonyl)-3-methylanilino]-1-(oxan-3-yl)-2H-pyrazolo[4,3-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)N2CCC(CC2)(CC#N)N3C4=CC=NC(=O)C4=C(N3)NC5=CC=C(C=C5)S(=O)(=O)C

DOS

IR

Vibrations