Geometry & MOs

Info

ID:	381488
PubChem CID:	134972244
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-63.58
Dipole, Da:	3.76
IP(EA), eV:	-9.32(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,3aS,4R,7aS)-2,3-dibenzyl-6-methyl-5-oxido-1-oxo-3a,4,7,7a-tetrahydro-3H-pyrrolo[3,4-c]pyridin-5-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)/C=C/C(=N/O)/C

DOS

IR

Vibrations