Geometry & MOs

Info

ID:	445265
PubChem CID:	135265652
Reduced:	FIN3O4H23C27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	8.28
IP(EA), eV:	-9.21(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2-phenylethyl)pyridin-2-yl]heptanal

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=CC(=C(C=C2)C3=NC=C(N3)C4=CC=C(C=C4)C(=O)I)F)OCC(C)(C)C(=O)O

DOS

IR

Vibrations