Geometry & MOs

Info

ID:	204767
PubChem CID:	80005545
Reduced:	FON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	4.6
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,6-dimethylphenyl)-5-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2=C(C=NC=C2)F)C)N

DOS

IR

Vibrations