Geometry & MOs

Info

ID:	433985
PubChem CID:	135174135
Reduced:	O2S2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	373.215413
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	6.38
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=C/C(C)C(=O)/C=C(/O)\SS

DOS

IR

Vibrations