Geometry & MOs

Info

ID:	232316
PubChem CID:	87575984
Reduced:	SN5O14C20H33 (1)
Stoich.:	AB5C14D20E33 (1)
Weight, g/mol:	351.102606
ΔH_f, kcal/mol:	-487.46
Dipole, Da:	6.56
IP(EA), eV:	-8.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridin-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.C1C(C(=O)N(C1=O)O)S(=O)(=O)O

DOS

IR

Vibrations