Geometry & MOs

Info

ID:	414537
PubChem CID:	135087496
Reduced:	ClO2N3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-54.22
Dipole, Da:	5.46
IP(EA), eV:	-8.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=C(C=C2)Cl)C(=O)N3CC(C3)N4CCOCC4

DOS

IR

Vibrations