Geometry & MOs

Info

ID:	141285
PubChem CID:	52853298
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	385.212732
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	3.59
IP(EA), eV:	-8.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCCN1C(=O)C2=C(N=C(S2)C3=C(C=C(C=C3)C)C)C

DOS

IR

Vibrations