Geometry & MOs

Info

ID:	332841
PubChem CID:	127251265
Reduced:	SO2N6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	420.26376
ΔH_f, kcal/mol:	-7.14
Dipole, Da:	4.39
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(4-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]-N-propan-2-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NC5CCOCC5

DOS

IR

Vibrations