Geometry & MOs

Info

ID:	294250
PubChem CID:	117443033
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	2.75
IP(EA), eV:	-8.61(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butanal

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCNC2)CN3CCOCC3

DOS

IR

Vibrations