Geometry & MOs

Info

ID:	196464
PubChem CID:	78834872
Reduced:	ClO3N5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	7.08
IP(EA), eV:	-9.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations