Geometry & MOs

Info

ID:	160308
PubChem CID:	57309655
Reduced:	NO3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	494.235162
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	8.31
IP(EA), eV:	-9.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-2-cyclopropylpyrazol-3-yl)-3-[4-[2-(1-oxothiolan-3-yl)ethoxy]naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

C[C@]12CCCCC1CC[C@@H]3[C@H]2CC[C@]4([C@H]3CCC4OC5=CC=C(C=C5)[N+](=O)[O-])C

DOS

IR

Vibrations