Geometry & MOs

Info

ID:	149256
PubChem CID:	53788928
Reduced:	ClSO2N8C25H27 (1)
Stoich.:	ABC2D8E25F27 (1)
Weight, g/mol:	109.052764
ΔH_f, kcal/mol:	86.52
Dipole, Da:	9.4
IP(EA), eV:	-8.7(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydropyridine-5-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)C=NS(=O)(=O)C1=C(C=CC(=C1)C2=CC=NC3=NC(=NN23)N4CCN(CC4)CC5=CC=CC=C5)Cl

DOS

IR

Vibrations