Geometry & MOs

Info

ID:	431801
PubChem CID:	135171907
Reduced:	NPO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	6.57
IP(EA), eV:	-9.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3E)-3,6-dimethylhepta-3,5-dien-1-ynyl]benzaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)(C)C1=CC(=C(C=C1)P)[N+](=O)[O-]

DOS

IR

Vibrations