Geometry & MOs

Info

ID:	165679
PubChem CID:	74583119
Reduced:	O2S2N7C22H29 (1)
Stoich.:	A2B2C7D22E29 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	9.42
IP(EA), eV:	-8.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylpyrrolidin-1-ium-3-ylidene)acetate

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)C(CC)SC2NC(C(C(=O)N2)C#N)C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations