Geometry & MOs

Info

ID:	434010
PubChem CID:	135174161
Reduced:	PN3O5C15H28 (1)
Stoich.:	AB3C5D15E28 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-257.6
Dipole, Da:	5.3
IP(EA), eV:	-9.33(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-2-[3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)C(=O)N1CCN(CC1)P(=O)(C#N)OC)O

DOS

IR

Vibrations