Geometry & MOs

Info

ID:	173057
PubChem CID:	75590554
Reduced:	ON6H18C19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	104.89
Dipole, Da:	3.84
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(2,4,5-trimethoxyphenyl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3CC(=O)N=C4C3C(NN4)C5=CC=CC=C5)N=N1

DOS

IR

Vibrations