Geometry & MOs

Info

ID:	399557
PubChem CID:	135040926
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	210.0991
ΔH_f, kcal/mol:	-120.59
Dipole, Da:	4.26
IP(EA), eV:	-9.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diaminomethylidene-[5-(methylcarbamoyl)-1H-pyrrole-2-carbonyl]azanium

Drug info:

PubChemData

Smile

CCCOC(=O)C(=O)C1=CC(=CC=C1)C(C)(C)C

DOS

IR

Vibrations