Geometry & MOs

Info

ID:	326384
PubChem CID:	126687442
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	600.246059
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	6.13
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,8-dimethyl-5,9b-dihydro-3H-benzo[g]isoindol-1-yl)-3-[1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-2-yl]urea

Drug info:

PubChemData

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C[C@@H]1C[C@@H](CN(C1)C2=C3CCCC3=NC=C2C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations