Geometry & MOs

Info

ID:	352561
PubChem CID:	127283649
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	7.46
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations