Geometry & MOs

Info

ID:	143350
PubChem CID:	53196437
Reduced:	ON7C19H29 (1)
Stoich.:	AB7C19D29 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	16.51
Dipole, Da:	5.89
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=NC3=C2C=NN3CC(=O)NC4CCCCCC4

DOS

IR

Vibrations