Geometry & MOs

Info

ID:	137133
PubChem CID:	52156742
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	7.1
IP(EA), eV:	-8.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-4,5-dioxo-2-pyridin-4-yl-1-(2-pyrrolidin-1-ium-1-ylethyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2[C@@H](C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=NC=C5

DOS

IR

Vibrations