Geometry & MOs

Info

ID:	38810
PubChem CID:	8137962
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	0.33
Dipole, Da:	2.06
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations