Geometry & MOs

Info

ID:	48543
PubChem CID:	11108080
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	5.66
IP(EA), eV:	-9.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-phenylmethoxypropan-2-yl)hept-6-enal

Drug info:

PubChemData

Smile

C1CCCC(=NCCC1)C(=O)OCC2=CC=CC=N2

DOS

IR

Vibrations