Geometry & MOs

Info

ID:	190499
PubChem CID:	78012645
Reduced:	SO4N10C25H26 (1)
Stoich.:	AB4C10D25E26 (1)
Weight, g/mol:	416.243693
ΔH_f, kcal/mol:	7.24
Dipole, Da:	8.95
IP(EA), eV:	-8.48(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-ethylphenyl)imidazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC3=C(C=NN3C(=N2)NC4CC4)C=C5C(=O)NC(=O)N5)NS(=O)(=O)C6=CC=C(C=C6)C#N

DOS

IR

Vibrations