Geometry & MOs

Info

ID:	216271
PubChem CID:	85085971
Reduced:	ON2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	248.084416
ΔH_f, kcal/mol:	79.11
Dipole, Da:	4.33
IP(EA), eV:	-10.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1H-pyrrol-2-ylamino)-pyrrol-2-ylidenemethyl]amino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2C(N2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations