Geometry & MOs

Info

ID:	38815
PubChem CID:	8137969
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-17.72
Dipole, Da:	3.14
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations