Geometry & MOs

Info

ID:	143349
PubChem CID:	53196436
Reduced:	ON7C16H25 (1)
Stoich.:	AB7C16D25 (1)
Weight, g/mol:	371.243359
ΔH_f, kcal/mol:	14.6
Dipole, Da:	5.51
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C

DOS

IR

Vibrations