Geometry & MOs

Info

ID:	426157
PubChem CID:	135141575
Reduced:	SO3N6C28H30 (1)
Stoich.:	AB3C6D28E30 (1)
Weight, g/mol:	127.099714
ΔH_f, kcal/mol:	-30.93
Dipole, Da:	7.16
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpiperidine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C1=CN=CC(=C1)C2=CSC(=C2)C(=O)NC3CCN(CC3)C(=O)C)NC(=O)C4=CC5=C(C=C4)NN=C5

DOS

IR

Vibrations