Geometry & MOs

Info

ID:	434026
PubChem CID:	135174179
Reduced:	BrClON2C22H26 (1)
Stoich.:	ABCD2E22F26 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	4.15
Dipole, Da:	2.08
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCC1CNCCCOC2=CC=CC(=C2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations