Geometry & MOs

Info

ID:	332853
PubChem CID:	127251277
Reduced:	OSN6C24H26 (1)
Stoich.:	ABC6D24E26 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	67.77
Dipole, Da:	5.62
IP(EA), eV:	-8.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCCC5=CC=CC=C5

DOS

IR

Vibrations