Geometry & MOs

Info

ID:	53030
PubChem CID:	14709423
Reduced:	SO2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	76.16
Dipole, Da:	8.98
IP(EA), eV:	-8.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylpiperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/N=C\2/C(=O)C(C(S2)C3=CC=C(C=C3)OC)(C#N)C#N

DOS

IR

Vibrations