Geometry & MOs

Info

ID:	341009
PubChem CID:	127263444
Reduced:	ClN2O2C10H19 (1)
Stoich.:	AB2C2D10E19 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	2.96
IP(EA), eV:	-9.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(oxan-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CN1C(=O)CCC1=O)N.Cl

DOS

IR

Vibrations