Geometry & MOs

Info

ID:	433995
PubChem CID:	135174145
Reduced:	BrClO2N3C28H31 (1)
Stoich.:	ABC2D3E28F31 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	10.68
Dipole, Da:	4.32
IP(EA), eV:	-8.97(-0.65)
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-2-carbonitrile

Drug info:

PubChemData

Smile

C1C(CN1)CNCCCOC2=CC(=CC(=C2)/C=C/C3=C(C=C(C=C3)Cl)Br)OCCC4=CC=NC=C4

DOS

IR

Vibrations