Geometry & MOs

Info

ID:	10368
PubChem CID:	101278
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	4.39
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methylidene]heptanal

Drug info:

PubChemData

Smile

CCCCCC(=CC1=CC=C(C=C1)OC)C=O

DOS

IR

Vibrations