Geometry & MOs

Info

ID:	146084
PubChem CID:	53633635
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	16.95
Dipole, Da:	3.86
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-methylphenyl)methyl]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)CCC1=CC(=C(C=C1)O)N2N3N2C4=CC=CC=C43

DOS

IR

Vibrations