Geometry & MOs

Info

ID:	376147
PubChem CID:	134222150
Reduced:	NO2F4H23C28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-225.36
Dipole, Da:	3.21
IP(EA), eV:	-9.21(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(pyridin-2-ylamino)methyl]benzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(/C=C/C2=CC(=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)C)C(F)(F)F

DOS

IR

Vibrations