Geometry & MOs

Info

ID:	186739
PubChem CID:	77476780
Reduced:	ON4C23H32 (1)
Stoich.:	AB4C23D32 (1)
Weight, g/mol:	424.283826
ΔH_f, kcal/mol:	2.13
Dipole, Da:	5.21
IP(EA), eV:	-8.06(-0.91)
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-5-yl]-N-methyloxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N(C)C1=CC2=CC(=C3C4CCC(CC4=NN3)(C)C)N=C2CC1

DOS

IR

Vibrations