Geometry & MOs

Info

ID:	298959
PubChem CID:	117664454
Reduced:	ClN5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	14.98
Dipole, Da:	3.91
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-[(E)-2-pyridin-4-ylethenyl]benzoate

Drug info:

PubChemData

Smile

CN(C1C[C@@H]2CNC[C@@H]2C1)C3=NC=NC4=C3C=CN4.Cl

DOS

IR

Vibrations