Geometry & MOs

Info

ID:	38943
PubChem CID:	8138208
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	1.86
IP(EA), eV:	-9.35(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(3-methylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NNC(=O)C2=CC=CN2)Cl

DOS

IR

Vibrations