Geometry & MOs

Info

ID:	56054
PubChem CID:	17404051
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	322.190595
ΔH_f, kcal/mol:	-143.7
Dipole, Da:	4.08
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C

DOS

IR

Vibrations