Geometry & MOs

Info

ID:	297982
PubChem CID:	117644527
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	374.223038
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	6.34
IP(EA), eV:	-8.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3R,4S)-4-aminohexan-3-yl]amino]-2-[(5,6-dimethylpyridin-3-yl)amino]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NN(C2=C1C=C(C=C2)N)C(=O)O

DOS

IR

Vibrations