Geometry & MOs

Info

ID:	357148
PubChem CID:	127293374
Reduced:	BrN2O4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	1.53
IP(EA), eV:	-9.74(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations