Geometry & MOs

Info

ID:	182009
PubChem CID:	76827746
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	10.26
IP(EA), eV:	-8.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,6-dimethyl-3a,4,5,7-tetrahydro-2H-indazol-3-ylidene)indol-6-yl]-3-hydroxy-N-methyl-2-propan-2-yloxypropanamide

Drug info:

PubChemData

Smile

CC(C)C(CO)N(C)C(=O)C1=CC2=NC(=C3C4CCC(CC4=NN3)(C)C)C=C2C=C1

DOS

IR

Vibrations