Geometry & MOs

Info

ID:

169117

PubChem CID:

75067068

Reduced:

NO6C25H26 (2)

Stoich.:

AB6C25D26 (2)

Weight, g/mol:

271.095691

ΔHf, kcal/mol:

-414.56

Dipole, Da:

3.54

IP(EA), eV:

 -8.37(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-(pyrrol-1-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CNC(CC3=CC=C(C=C3)O)C(=O)OC)C(=O)C(=C2C(C)C)O)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=O)C5=CNC(CC6=CC=C(C=C6)O)C(=O)OC)O)C(C)C)O)O

DOS

IR

Vibrations