Geometry & MOs

Info

ID:	434383
PubChem CID:	135174816
Reduced:	BrClN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	445.193632
ΔH_f, kcal/mol:	55.93
Dipole, Da:	2.96
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[3-[(5-methyl-1,2-thiazol-3-yl)methoxy]-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CC=C2)C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations