Geometry & MOs

Info

ID:	186742
PubChem CID:	77476783
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	368.257612
ΔH_f, kcal/mol:	25.55
Dipole, Da:	10.19
IP(EA), eV:	-8.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3,3-dimethylbutyl)-3-methyl-1,4-dihydropyrazol-5-ylidene]-6,7-dihydroindol-6-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCC(=O)N(C)C1=CC2=NC(=C3C(C(=NN3)C)CCC(C)C)C=C2C=C1

DOS

IR

Vibrations