Geometry & MOs

Info

ID:	420915
PubChem CID:	135115035
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	17.99
Dipole, Da:	3.14
IP(EA), eV:	-9.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)CC2=CC(=NO2)C3CCCCC3

DOS

IR

Vibrations