Geometry & MOs

Info

ID:	38842
PubChem CID:	8138033
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	-5.38
Dipole, Da:	2.14
IP(EA), eV:	-9.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations