Geometry & MOs

Info

ID:	338560
PubChem CID:	127259571
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	198.115698
ΔH_f, kcal/mol:	-2.06
Dipole, Da:	3.5
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(1-benzylpyrrolidin-2-ylidene)acetonitrile

Drug info:

PubChemData

Smile

COCCCCC/C(=N/OCC#N)/C1=CC=C(C=C1)SC

DOS

IR

Vibrations