Geometry & MOs

Info

ID:	434053
PubChem CID:	135174206
Reduced:	SO3N5C28H39 (1)
Stoich.:	AB3C5D28E39 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	6.41
IP(EA), eV:	-8.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-2-[4-prop-2-enoxy-6-[(pyrrolidin-3-ylmethylamino)methyl]pyridin-2-yl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)CNCC3CCNC3)OCCC4=CN=CN4

DOS

IR

Vibrations