Geometry & MOs

Info

ID:	340993
PubChem CID:	127263428
Reduced:	BrN2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	2.04
IP(EA), eV:	-10.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=N1)Br)C(=O)OC

DOS

IR

Vibrations