Geometry & MOs

Info

ID:	176452
PubChem CID:	76050681
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	6.25
IP(EA), eV:	-9.14(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[ethyl-[(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCN(CCC(=O)O)CC1=NC(=O)C2=CC=CC(=C)C2=N1

DOS

IR

Vibrations