Geometry & MOs

Info

ID:	176431
PubChem CID:	76048543
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-123.76
Dipole, Da:	3.3
IP(EA), eV:	-8.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2,3-dihydro-1H-inden-1-yl(ethyl)amino]methyl]-1-methyl-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C

DOS

IR

Vibrations