Geometry & MOs

Info

ID:	161198
PubChem CID:	57391025
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	410.256943
ΔH_f, kcal/mol:	-33.68
Dipole, Da:	11.3
IP(EA), eV:	-7.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-dodecoxyphenyl)-1-hydroxy-2H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/C2=C/C(=C/C=C/3\C=CC(=O)C(=C3)OC)/NN2)OC

DOS

IR

Vibrations