Geometry & MOs

Info

ID:	38824
PubChem CID:	8137987
Reduced:	IO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	10.37
Dipole, Da:	2.79
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations