Geometry & MOs

Info

ID:	54700
PubChem CID:	17389122
Reduced:	OSN2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	40.58
Dipole, Da:	6.61
IP(EA), eV:	-8.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N'-[(E)-(2-methylindol-3-ylidene)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(S1)SC)/C=N\NC(=O)C2=NC=CN=C2

DOS

IR

Vibrations