Geometry & MOs

Info

ID:	293195
PubChem CID:	117376568
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	5.88
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-methoxy-2-(piperidin-4-ylmethyl)benzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CC2CCCNC2)C=O)O

DOS

IR

Vibrations