Geometry & MOs

Info

ID:	399558
PubChem CID:	135040927
Reduced:	O2N5C8H12 (1)
Stoich.:	A2B5C8D12 (1)
Weight, g/mol:	209.091275
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	1.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757222
Charge, e:	0

Chem-info

IUPAC name:

2-N-(diaminomethylidene)-5-N-methyl-1H-pyrrole-2,5-dicarboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(N1)C(=O)[NH+]=C(N)N

DOS

IR

Vibrations