Geometry & MOs

Info

ID:	216590
PubChem CID:	85086464
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-245.11
Dipole, Da:	4.56
IP(EA), eV:	-9.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methoxyphenyl)propan-2-ylideneamino] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC(C(C(C(=O)CO)O)O)O

DOS

IR

Vibrations